1072415-52-1 ((9-butyl-10-(1E,3E)-5-(10E)-9-butyl-4-methyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),11,13-pentaen-10-ylidenepenta-1,3-dien-1-yl-4-methyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),9,11,13-hexaen-9-ium, tetrafluoroboranuide)

结构式：

$9-butyl-10-(1E,3E)-5-(10E)-9-butyl-4-methyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),11,13-pentaen-10-ylidenepenta-1,3-dien-1-yl-4-methyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),9,11,13-hexaen-9-ium, tetrafluoroboranuide结构式图片|1072415-52-1结构式图片$

9-butyl-10-(1E,3E)-5-(10E)-9-butyl-4-methyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),11,13-pentaen-10-ylidenepenta-1,3-dien-1-yl-4-methyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),9,11,13-hexaen-9-ium, tetrafluoroboranuideMOL文件

CAS号：

1072415-52-1

英文名称：

分子式：

C₄₁H₄₃BF₄N₂O₂

分子量：

682.596945047379

9-butyl-10-(1E,3E)-5-(10E)-9-butyl-4-methyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),11,13-pentaen-10-ylidenepenta-1,3-dien-1-yl-4-methyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),9,11,13-hexaen-9-ium, tetrafluoroboranuide(1072415-52-1)名称与标识符

名称

英文别名：

5-Butyl-4-((1E,3E,5E)-5-(5-butyl-8-methyl-7,8-dihydrobenzo[cd]furo[2,3-f]indol-4(5H)-ylidene)penta-1,3-dien-1-yl)-8-methyl-7,8-dihydrobenzo[cd]furo[2,3-f]indol;5-butyl-4-((1E,3E,5E)-5-(5-butyl-8-methyl-7,8-dihydrobenzo[cd]furo[2,3-f]indol-4(5H)-ylidene)penta-1,3-dien-1-yl)-8-methyl-7,8-dihydrobenzo[cd]furo[2,3-f]indol-5-ium tetrafluoroborate;9-Butyl-10-[5-(9-butyl-4-methyl-3-oxa-9-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),7,11(15),12-pentaen-10-ylidene)penta-1,3-dienyl]-4-methyl-3-oxa-9-azoniatetracyclo[6.6.1.02,6.011,15]pentadeca-1,6,8(15),9,11,13-hexaene;tetrafluoroborate;9-butyl-10-(1E,3E)-5-(10E)-9-butyl-4-methyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),11,13-pentaen-10-ylidenepenta-1,3-dien-1-yl-4-methyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),9,11,13-hexaen-9-ium, tetrafluoroboranuide;

标识符

MDL：

MFCD28388825

InChIKey：

YVPLFTFBLFPHDZ-UHFFFAOYSA-N

Inchi：

1S/C41H43N2O2.BF4/c1-5-7-20-42-34(30-14-12-16-32-38(30)36(42)24-28-22-26(3)44-40(28)32)18-10-9-11-19-35-31-15-13-17-33-39(31)37(43(35)21-8-6-2)25-29-23-27(4)45-41(29)33;2-1(3,4)5/h9-19,24-27H,5-8,20-23H2,1-4H3;/q+1;-1

SMILES：

F[B-](F)(F)F.O1C(C)CC2C=C3C4C(=CC=CC=4C1=2)C(C=CC=CC=C1C2=CC=CC4C5=C(C=C(C=42)N1CCCC)CC(C)O5)=[N+]3CCCC

9-butyl-10-(1E,3E)-5-(10E)-9-butyl-4-methyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),11,13-pentaen-10-ylidenepenta-1,3-dien-1-yl-4-methyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),9,11,13-hexaen-9-ium, tetrafluoroboranuide(1072415-52-1)物化性质

计算特性

氢键供体数量 : 0
氢键受体数量 : 8
可旋转化学键数量 : 9
重原子数量 : 50
复杂度 : 1130
拓扑分子极性表面积 : 24.7

82793-03-1(（5xi，9xi，18alpha，22alpha）-22,23-二羟基齐墩果-12-烯-3-基2-O-β-D-吡喃葡萄糖基-β-D-吡喃半乳糖醛酸) 82796-37-0(（2R，3R，8S，14R）-2,8-双（4-羟基苯基）-3,4-二氢-2H，14H-8,14-甲氧基色氨酸[7,8-d][1,3]苯并二氧辛-3,5,11,13,15-戊醇) 82509-40-8(（3α，13α，14β，17α，20S）-3-羟基羊毛甾-7,24-二烯-21-酸) 82509-41-9(8-表番木鳖酸) 82517-08-6(4-Hydroxytetramycin A) 82525-24-4(4-（4-甲氧基苯基）-1-甲基-1H-吡唑) 82535-76-0(Myoscorpine) 82882-71-1(N-[(苯甲氧基)羰基]-1-(三苯基甲基)-L-组氨酸)

960化工网为您提供9-butyl-10-(1E,3E)-5-(10E)-9-butyl-4-methyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),11,13-pentaen-10-ylidenepenta-1,3-dien-1-yl-4-methyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),9,11,13-hexaen-9-ium, tetrafluoroboranuide专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.1072415-52-1,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:1072415-52-1 国际站:1072415-52-1

1072415-52-1 ((9-butyl-10-(1E,3E)-5-(10E)-9-butyl-4-methyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),11,13-pentaen-10-ylidenepenta-1,3-dien-1-yl-4-methyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),9,11,13-hexaen-9-ium, tetrafluoroboranuide)

9-butyl-10-(1E,3E)-5-(10E)-9-butyl-4-methyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),11,13-pentaen-10-ylidenepenta-1,3-dien-1-yl-4-methyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),9,11,13-hexaen-9-ium, tetrafluoroboranuide(1072415-52-1)名称与标识符

名称

标识符

9-butyl-10-(1E,3E)-5-(10E)-9-butyl-4-methyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),11,13-pentaen-10-ylidenepenta-1,3-dien-1-yl-4-methyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),9,11,13-hexaen-9-ium, tetrafluoroboranuide(1072415-52-1)物化性质

计算特性

目录