2-carbazol-9-yl-4-(2-carbazol-9-yl-4-pyridinyl)benzonitrile

C36H22N4 — CID 139523867

IUPAC2-carbazol-9-yl-4-(2-carbazol-9-yl-4-pyridinyl)benzonitrile
SMILESN#Cc1ccc(-c2ccnc(-n3c4ccccc4c4ccccc43)c2)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C36H22N4/c37-23-26-18-17-24(21-35(26)39-31-13-5-1-9-27(31)28-10-2-6-14-32(28)39)25-19-20-38-36(22-25)40-33-15-7-3-11-29(33)30-12-4-8-16-34(30)40/h1-22H
InChIKeyKUDVZBJNKITEKK-UHFFFAOYSA-N
MW510.60 g/mol
LogP8.81
Rot. Bonds3

About 2-carbazol-9-yl-4-(2-carbazol-9-yl-4-pyridinyl)benzonitrile

2-carbazol-9-yl-4-(2-carbazol-9-yl-4-pyridinyl)benzonitrile (PubChem CID 139523867) has the molecular formula C36H22N4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 2-carbazol-9-yl-4-(2-carbazol-9-yl-4-pyridinyl)benzonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-4-(2-carbazol-9-yl-4-pyridinyl)benzonitrile
PubChem CID139523867
Molecular FormulaC36H22N4
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name2-carbazol-9-yl-4-(2-carbazol-9-yl-4-pyridinyl)benzonitrile
SMILESN#Cc1ccc(-c2ccnc(-n3c4ccccc4c4ccccc43)c2)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C36H22N4/c37-23-26-18-17-24(21-35(26)39-31-13-5-1-9-27(31)28-10-2-6-14-32(28)39)25-19-20-38-36(22-25)40-33-15-7-3-11-29(33)30-12-4-8-16-34(30)40/h1-22H
InChIKeyKUDVZBJNKITEKK-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

2,4-di(carbazol-9-yl)-5-(2-carbazol-9-yl-4-pyridinyl)benzonitrile
CID 139523509
2-(2-tert-butylcarbazol-9-yl)-4-[3-(2-tert-butylcarbazol-9-yl)-4-cyanophenyl]benzonitrile
CID 138736013
4-[4-cyano-3-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138736274
CID 163534183
CID 163534183
4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 134508031
2-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134512928
2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-cyanophenyl]benzonitrile
CID 138736607
2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 153302040
3-carbazol-9-yl-2-[2-(3-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
CID 155080460
2-[3-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418228
9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 153117402
4-(4,6-dimethylpyrimidin-2-yl)-2-(2-methylcarbazol-9-yl)benzonitrile
CID 146699426

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-4-(2-carbazol-9-yl-4-pyridinyl)benzonitrile?
The IUPAC name of 2-carbazol-9-yl-4-(2-carbazol-9-yl-4-pyridinyl)benzonitrile (CID 139523867) is 2-carbazol-9-yl-4-(2-carbazol-9-yl-4-pyridinyl)benzonitrile.
What is the SMILES notation for 2-carbazol-9-yl-4-(2-carbazol-9-yl-4-pyridinyl)benzonitrile?
The canonical SMILES for 2-carbazol-9-yl-4-(2-carbazol-9-yl-4-pyridinyl)benzonitrile is N#Cc1ccc(-c2ccnc(-n3c4ccccc4c4ccccc43)c2)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-yl-4-(2-carbazol-9-yl-4-pyridinyl)benzonitrile?
The InChIKey is KUDVZBJNKITEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/c37-23-26-18-17-24(21-35(26)39-31-13-5-1-9-27(31)28-10-2-6-14-32(28)39)25-19-20-38-36(22-25)40-33-15-7-3-11-29(33)30-12-4-8-16-34(30)40/h1-22H.
What are the key properties of 2-carbazol-9-yl-4-(2-carbazol-9-yl-4-pyridinyl)benzonitrile?
2-carbazol-9-yl-4-(2-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 2-carbazol-9-yl-4-(2-carbazol-9-yl-4-pyridinyl)benzonitrile is sourced from PubChem (CID 139523867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).