4-carbazol-9-yl-3-[2-[3-(N-phenylanilino)carbazol-9-yl]-3-pyridinyl]benzonitrile

C48H31N5 — CID 139523617

IUPAC4-carbazol-9-yl-3-[2-[3-(N-phenylanilino)carbazol-9-yl]-3-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccnc2-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c1
InChIInChI=1S/C48H31N5/c49-32-33-25-27-46(52-43-22-10-7-18-37(43)38-19-8-11-23-44(38)52)41(30-33)40-21-13-29-50-48(40)53-45-24-12-9-20-39(45)42-31-36(26-28-47(42)53)51(34-14-3-1-4-15-34)35-16-5-2-6-17-35/h1-31H
InChIKeyWMXPOGJCBFQMPU-UHFFFAOYSA-N
MW677.81 g/mol
LogP12.28
Rot. Bonds6

About 4-carbazol-9-yl-3-[2-[3-(N-phenylanilino)carbazol-9-yl]-3-pyridinyl]benzonitrile

4-carbazol-9-yl-3-[2-[3-(N-phenylanilino)carbazol-9-yl]-3-pyridinyl]benzonitrile (PubChem CID 139523617) has the molecular formula C48H31N5 and a molecular weight of 677.81 g/mol. Its IUPAC name is 4-carbazol-9-yl-3-[2-[3-(N-phenylanilino)carbazol-9-yl]-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-carbazol-9-yl-3-[2-[3-(N-phenylanilino)carbazol-9-yl]-3-pyridinyl]benzonitrile
PubChem CID139523617
Molecular FormulaC48H31N5
Molecular Weight677.81 g/mol
Exact Mass677.26
IUPAC Name4-carbazol-9-yl-3-[2-[3-(N-phenylanilino)carbazol-9-yl]-3-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccnc2-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c1
InChIInChI=1S/C48H31N5/c49-32-33-25-27-46(52-43-22-10-7-18-37(43)38-19-8-11-23-44(38)52)41(30-33)40-21-13-29-50-48(40)53-45-24-12-9-20-39(45)42-31-36(26-28-47(42)53)51(34-14-3-1-4-15-34)35-16-5-2-6-17-35/h1-31H
InChIKeyWMXPOGJCBFQMPU-UHFFFAOYSA-N
XLogP12.28
TPSA49.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-5-methylphenyl]benzonitrile
CID 135128753
N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine
CID 140917952
5-[4-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]-2-[3-(N-phenylanilino)carbazol-9-yl]benzonitrile
CID 126734487
4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 164743889
4-[bis[9-(2,4-difluorophenyl)carbazol-3-yl]amino]benzonitrile;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-fluorophenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-phenylcarbazol-3-amine
CID 158131422
2-[3,6-bis(N-(4-cyanophenyl)anilino)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 126734678
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-[2-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 167035208
N,N-diphenyl-9-[4-[3-[3-(N-phenylanilino)carbazol-9-yl]-4-pyridinyl]-3-pyridinyl]carbazol-3-amine
CID 122433898
5-(2,6-diphenylpyrimidin-4-yl)-2-[3-(N-phenylanilino)carbazol-9-yl]benzonitrile
CID 126735104
9-[2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile
CID 153455486
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile
CID 164744019
3-(2-carbazol-9-ylphenyl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 129291095

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-3-[2-[3-(N-phenylanilino)carbazol-9-yl]-3-pyridinyl]benzonitrile?
The IUPAC name of 4-carbazol-9-yl-3-[2-[3-(N-phenylanilino)carbazol-9-yl]-3-pyridinyl]benzonitrile (CID 139523617) is 4-carbazol-9-yl-3-[2-[3-(N-phenylanilino)carbazol-9-yl]-3-pyridinyl]benzonitrile.
What is the SMILES notation for 4-carbazol-9-yl-3-[2-[3-(N-phenylanilino)carbazol-9-yl]-3-pyridinyl]benzonitrile?
The canonical SMILES for 4-carbazol-9-yl-3-[2-[3-(N-phenylanilino)carbazol-9-yl]-3-pyridinyl]benzonitrile is N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccnc2-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c1.
What is the InChIKey of 4-carbazol-9-yl-3-[2-[3-(N-phenylanilino)carbazol-9-yl]-3-pyridinyl]benzonitrile?
The InChIKey is WMXPOGJCBFQMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N5/c49-32-33-25-27-46(52-43-22-10-7-18-37(43)38-19-8-11-23-44(38)52)41(30-33)40-21-13-29-50-48(40)53-45-24-12-9-20-39(45)42-31-36(26-28-47(42)53)51(34-14-3-1-4-15-34)35-16-5-2-6-17-35/h1-31H.
What are the key properties of 4-carbazol-9-yl-3-[2-[3-(N-phenylanilino)carbazol-9-yl]-3-pyridinyl]benzonitrile?
4-carbazol-9-yl-3-[2-[3-(N-phenylanilino)carbazol-9-yl]-3-pyridinyl]benzonitrile has a molecular weight of 677.81 g/mol, XLogP of 12.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-3-[2-[3-(N-phenylanilino)carbazol-9-yl]-3-pyridinyl]benzonitrile is sourced from PubChem (CID 139523617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).