3,5-di(carbazol-9-yl)-2,6-bis(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)benzonitrile

C83H51N7 — CID 167403692

IUPAC3,5-di(carbazol-9-yl)-2,6-bis(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)benzonitrile
SMILESN#Cc1c(N2C3=Nc4ccc(-c5ccccc5)cc4C3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1N1C2=Nc3ccc(-c4ccccc4)cc3C2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C83H51N7/c84-50-67-80(89-74-43-39-57(53-25-9-3-10-26-53)47-65(74)78-63-45-55(51-21-5-1-6-22-51)37-41-68(63)85-82(78)89)76(87-70-33-17-13-29-59(70)60-30-14-18-34-71(60)87)49-77(88-72-35-19-15-31-61(72)62-32-16-20-36-73(62)88)81(67)90-75-44-40-58(54-27-11-4-12-28-54)48-66(75)79-64-46-56(52-23-7-2-8-24-52)38-42-69(64)86-83(79)90/h1-49,78-79H
InChIKeyRVLURGYWVDFUQQ-UHFFFAOYSA-N
MW1146.37 g/mol
LogP21.07
Rot. Bonds8

About 3,5-di(carbazol-9-yl)-2,6-bis(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)benzonitrile

3,5-di(carbazol-9-yl)-2,6-bis(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)benzonitrile (PubChem CID 167403692) has the molecular formula C83H51N7 and a molecular weight of 1146.37 g/mol. Its IUPAC name is 3,5-di(carbazol-9-yl)-2,6-bis(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)benzonitrile.

Molecular Properties

Compound Name3,5-di(carbazol-9-yl)-2,6-bis(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)benzonitrile
PubChem CID167403692
Molecular FormulaC83H51N7
Molecular Weight1146.37 g/mol
Exact Mass1145.42
IUPAC Name3,5-di(carbazol-9-yl)-2,6-bis(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)benzonitrile
SMILESN#Cc1c(N2C3=Nc4ccc(-c5ccccc5)cc4C3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1N1C2=Nc3ccc(-c4ccccc4)cc3C2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C83H51N7/c84-50-67-80(89-74-43-39-57(53-25-9-3-10-26-53)47-65(74)78-63-45-55(51-21-5-1-6-22-51)37-41-68(63)85-82(78)89)76(87-70-33-17-13-29-59(70)60-30-14-18-34-71(60)87)49-77(88-72-35-19-15-31-61(72)62-32-16-20-36-73(62)88)81(67)90-75-44-40-58(54-27-11-4-12-28-54)48-66(75)79-64-46-56(52-23-7-2-8-24-52)38-42-69(64)86-83(79)90/h1-49,78-79H
InChIKeyRVLURGYWVDFUQQ-UHFFFAOYSA-N
XLogP21.07
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001146.37
LogP ≤ 521.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
2,5-di(carbazol-9-yl)-4,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 167015442
2,3,5-tri(carbazol-9-yl)-6-(2,7-diphenylcarbazol-9-yl)-4-phenylbenzonitrile
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4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile
CID 139507138
2,6-di(carbazol-9-yl)-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzonitrile
CID 155178332
2,6-bis(3,6-ditert-butylcarbazol-9-yl)-3,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 168845283
2,6-di(carbazol-9-yl)-4-(2,6-dimethylphenyl)-3,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 146631082
2,6-bis(2-carbazol-9-ylphenyl)-4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylbenzonitrile
CID 137368880
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile
CID 134508080
1,3-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-2-carbonitrile
CID 155131662
4-[3,4,5-tri(carbazol-9-yl)phenyl]benzonitrile
CID 129312949
2-carbazol-9-yl-4,6-bis(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;2-carbazol-9-yl-4,6-bis(3-phenylcarbazol-9-yl)pyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile
CID 160878299

Frequently Asked Questions

What is the IUPAC name of 3,5-di(carbazol-9-yl)-2,6-bis(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)benzonitrile?
The IUPAC name of 3,5-di(carbazol-9-yl)-2,6-bis(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)benzonitrile (CID 167403692) is 3,5-di(carbazol-9-yl)-2,6-bis(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)benzonitrile.
What is the SMILES notation for 3,5-di(carbazol-9-yl)-2,6-bis(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)benzonitrile?
The canonical SMILES for 3,5-di(carbazol-9-yl)-2,6-bis(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)benzonitrile is N#Cc1c(N2C3=Nc4ccc(-c5ccccc5)cc4C3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1N1C2=Nc3ccc(-c4ccccc4)cc3C2c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 3,5-di(carbazol-9-yl)-2,6-bis(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)benzonitrile?
The InChIKey is RVLURGYWVDFUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H51N7/c84-50-67-80(89-74-43-39-57(53-25-9-3-10-26-53)47-65(74)78-63-45-55(51-21-5-1-6-22-51)37-41-68(63)85-82(78)89)76(87-70-33-17-13-29-59(70)60-30-14-18-34-71(60)87)49-77(88-72-35-19-15-31-61(72)62-32-16-20-36-73(62)88)81(67)90-75-44-40-58(54-27-11-4-12-28-54)48-66(75)79-64-46-56(52-23-7-2-8-24-52)38-42-69(64)86-83(79)90/h1-49,78-79H.
What are the key properties of 3,5-di(carbazol-9-yl)-2,6-bis(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)benzonitrile?
3,5-di(carbazol-9-yl)-2,6-bis(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)benzonitrile has a molecular weight of 1146.37 g/mol, XLogP of 21.07, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(carbazol-9-yl)-2,6-bis(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)benzonitrile is sourced from PubChem (CID 167403692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).