3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile

C36H22N4 — CID 139523628

IUPAC3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile
SMILESN#Cc1ccc(-c2ccncc2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C36H22N4/c37-22-24-17-18-29(35(21-24)39-31-13-5-1-9-25(31)26-10-2-6-14-32(26)39)30-19-20-38-23-36(30)40-33-15-7-3-11-27(33)28-12-4-8-16-34(28)40/h1-21,23H
InChIKeyKVBVCGGEZRZZIB-UHFFFAOYSA-N
MW510.60 g/mol
LogP8.81
Rot. Bonds3

About 3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile

3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile (PubChem CID 139523628) has the molecular formula C36H22N4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile
PubChem CID139523628
Molecular FormulaC36H22N4
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile
SMILESN#Cc1ccc(-c2ccncc2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C36H22N4/c37-22-24-17-18-29(35(21-24)39-31-13-5-1-9-25(31)26-10-2-6-14-32(26)39)30-19-20-38-23-36(30)40-33-15-7-3-11-27(33)28-12-4-8-16-34(28)40/h1-21,23H
InChIKeyKVBVCGGEZRZZIB-UHFFFAOYSA-N
XLogP8.81
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146409434
3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 159047347
3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 142495034
4-carbazol-9-yl-3-(2-carbazol-9-yl-4-cyanophenyl)-5-pyridin-4-ylbenzonitrile
CID 146187161
4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409327
3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 142495084
9-[2-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 146542601
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409764
4-(3,6-dimethylcarbazol-9-yl)-3-[3-(3,6-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146409744
4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409611
4-(2-carbazol-9-ylphenyl)-3-(2-cyano-4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile
CID 155081255
9-[5-cyano-3-(2-cyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2-carbonitrile
CID 134292628

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile?
The IUPAC name of 3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile (CID 139523628) is 3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile.
What is the SMILES notation for 3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile?
The canonical SMILES for 3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile is N#Cc1ccc(-c2ccncc2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile?
The InChIKey is KVBVCGGEZRZZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/c37-22-24-17-18-29(35(21-24)39-31-13-5-1-9-25(31)26-10-2-6-14-32(26)39)30-19-20-38-23-36(30)40-33-15-7-3-11-27(33)28-12-4-8-16-34(28)40/h1-21,23H.
What are the key properties of 3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile?
3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile has a molecular weight of 510.60 g/mol, XLogP of 8.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile is sourced from PubChem (CID 139523628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).