5-(3,6-ditert-butylcarbazol-9-yl)-2-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)-3-phenylbenzonitrile

C84H63N7 — CID 177276842

IUPAC5-(3,6-ditert-butylcarbazol-9-yl)-2-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)-3-phenylbenzonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2ccccc2)c(-n2c3ccc(-c4ccccc4)cc3n3c4cc(-c5ccccc5)ccc4nc23)c(C#N)c1N1C2=Nc3ccc(-c4ccccc4)cc3C2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C84H63N7/c1-83(2,3)61-36-42-71-64(48-61)65-49-62(84(4,5)6)37-43-72(65)88(71)77-50-63(56-30-20-11-21-31-56)79(91-74-41-35-60(55-28-18-10-19-29-55)47-76(74)89-75-46-59(54-26-16-9-17-27-54)33-39-70(75)87-82(89)91)68(51-85)80(77)90-73-40-34-58(53-24-14-8-15-25-53)45-67(73)78-66-44-57(52-22-12-7-13-23-52)32-38-69(66)86-81(78)90/h7-50,78H,1-6H3
InChIKeyDFLIHWDNCHFGJL-UHFFFAOYSA-N
MW1170.48 g/mol
LogP21.66
Rot. Bonds8

About 5-(3,6-ditert-butylcarbazol-9-yl)-2-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)-3-phenylbenzonitrile

5-(3,6-ditert-butylcarbazol-9-yl)-2-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)-3-phenylbenzonitrile (PubChem CID 177276842) has the molecular formula C84H63N7 and a molecular weight of 1170.48 g/mol. Its IUPAC name is 5-(3,6-ditert-butylcarbazol-9-yl)-2-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)-3-phenylbenzonitrile.

Molecular Properties

Compound Name5-(3,6-ditert-butylcarbazol-9-yl)-2-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)-3-phenylbenzonitrile
PubChem CID177276842
Molecular FormulaC84H63N7
Molecular Weight1170.48 g/mol
Exact Mass1169.51
IUPAC Name5-(3,6-ditert-butylcarbazol-9-yl)-2-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)-3-phenylbenzonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2ccccc2)c(-n2c3ccc(-c4ccccc4)cc3n3c4cc(-c5ccccc5)ccc4nc23)c(C#N)c1N1C2=Nc3ccc(-c4ccccc4)cc3C2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C84H63N7/c1-83(2,3)61-36-42-71-64(48-61)65-49-62(84(4,5)6)37-43-72(65)88(71)77-50-63(56-30-20-11-21-31-56)79(91-74-41-35-60(55-28-18-10-19-29-55)47-76(74)89-75-46-59(54-26-16-9-17-27-54)33-39-70(75)87-82(89)91)68(51-85)80(77)90-73-40-34-58(53-24-14-8-15-25-53)45-67(73)78-66-44-57(52-22-12-7-13-23-52)32-38-69(66)86-81(78)90/h7-50,78H,1-6H3
InChIKeyDFLIHWDNCHFGJL-UHFFFAOYSA-N
XLogP21.66
TPSA66.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001170.48
LogP ≤ 521.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(3,6-ditert-butylcarbazol-9-yl)-2-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)-3-phenylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-bis(3,6-ditert-butylcarbazol-9-yl)-2,6-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzonitrile
CID 155178235
5-(3,6-ditert-butylcarbazol-9-yl)-2-(3,6-ditert-butyl-9H-fluoren-9-yl)-3,6-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzonitrile
CID 167382636
3,5-bis(3,6-ditert-butylcarbazol-9-yl)-2,6-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzonitrile;3-(3,6-ditert-butylcarbazol-9-yl)-2,6-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-5-phenylbenzonitrile;5-[2-(3,6-ditert-butylcarbazol-9-yl)-5-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-3-isocyano-4-phenylphenyl]-2,9-diphenylbenzimidazolo[1,2-a]benzimidazole
CID 160698068
3,5-di(carbazol-9-yl)-2,6-bis(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)benzonitrile
CID 167403692
3-(3-tert-butyl-6-propan-2-ylcarbazol-9-yl)-5-(3,6-ditert-butylcarbazol-9-yl)-2,6-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzonitrile
CID 167381573
2,6-bis(3,6-ditert-butylcarbazol-9-yl)-3,5-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzonitrile;3,5-bis(3,6-ditert-butylcarbazol-9-yl)-2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzonitrile;2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-3,5-diphenylbenzonitrile;3-(3,6-ditert-butylcarbazol-9-yl)-2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-phenylbenzonitrile;2-[2-(3,6-ditert-butylcarbazol-9-yl)-5-(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-3-isocyano-4-phenylphenyl]-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole
CID 157231226
5-[2,4-bis(3,6-ditert-butylcarbazol-9-yl)-5-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-3-methylphenyl]-2,9-diphenylbenzimidazolo[1,2-a]benzimidazole
CID 167403966
2,6-di(carbazol-9-yl)-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzonitrile
CID 155178332
5-[4-carbazol-9-yl-3-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-2-methyl-6-phenylphenyl]-2,9-diphenylbenzimidazolo[1,2-a]benzimidazole
CID 167403626
2,6-di(carbazol-9-yl)-3,5-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzonitrile
CID 155178240
2,6-bis(3,6-ditert-butylcarbazol-9-yl)-3,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 168845283
2,6-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-3,5-diphenylbenzonitrile;3,5-diphenyl-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 160926602

Frequently Asked Questions

What is the IUPAC name of 5-(3,6-ditert-butylcarbazol-9-yl)-2-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)-3-phenylbenzonitrile?
The IUPAC name of 5-(3,6-ditert-butylcarbazol-9-yl)-2-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)-3-phenylbenzonitrile (CID 177276842) is 5-(3,6-ditert-butylcarbazol-9-yl)-2-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)-3-phenylbenzonitrile.
What is the SMILES notation for 5-(3,6-ditert-butylcarbazol-9-yl)-2-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)-3-phenylbenzonitrile?
The canonical SMILES for 5-(3,6-ditert-butylcarbazol-9-yl)-2-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)-3-phenylbenzonitrile is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2ccccc2)c(-n2c3ccc(-c4ccccc4)cc3n3c4cc(-c5ccccc5)ccc4nc23)c(C#N)c1N1C2=Nc3ccc(-c4ccccc4)cc3C2c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 5-(3,6-ditert-butylcarbazol-9-yl)-2-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)-3-phenylbenzonitrile?
The InChIKey is DFLIHWDNCHFGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H63N7/c1-83(2,3)61-36-42-71-64(48-61)65-49-62(84(4,5)6)37-43-72(65)88(71)77-50-63(56-30-20-11-21-31-56)79(91-74-41-35-60(55-28-18-10-19-29-55)47-76(74)89-75-46-59(54-26-16-9-17-27-54)33-39-70(75)87-82(89)91)68(51-85)80(77)90-73-40-34-58(53-24-14-8-15-25-53)45-67(73)78-66-44-57(52-22-12-7-13-23-52)32-38-69(66)86-81(78)90/h7-50,78H,1-6H3.
What are the key properties of 5-(3,6-ditert-butylcarbazol-9-yl)-2-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)-3-phenylbenzonitrile?
5-(3,6-ditert-butylcarbazol-9-yl)-2-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)-3-phenylbenzonitrile has a molecular weight of 1170.48 g/mol, XLogP of 21.66, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-ditert-butylcarbazol-9-yl)-2-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)-3-phenylbenzonitrile is sourced from PubChem (CID 177276842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).