4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile

C37H22N4 — CID 138565530

IUPAC4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile
SMILESN#Cc1cc(-c2ccccc2)c(-n2c3ccccc3c3cccc(-c4ccccc4C#N)c32)cc1-c1ccncc1
InChIInChI=1S/C37H22N4/c38-23-27-11-4-5-12-29(27)31-14-8-15-32-30-13-6-7-16-35(30)41(37(31)32)36-22-33(26-17-19-40-20-18-26)28(24-39)21-34(36)25-9-2-1-3-10-25/h1-22H
InChIKeyINZUSGYHLFMSDO-UHFFFAOYSA-N
MW522.61 g/mol
LogP8.92
Rot. Bonds4

About 4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile

4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile (PubChem CID 138565530) has the molecular formula C37H22N4 and a molecular weight of 522.61 g/mol. Its IUPAC name is 4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile
PubChem CID138565530
Molecular FormulaC37H22N4
Molecular Weight522.61 g/mol
Exact Mass522.18
IUPAC Name4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile
SMILESN#Cc1cc(-c2ccccc2)c(-n2c3ccccc3c3cccc(-c4ccccc4C#N)c32)cc1-c1ccncc1
InChIInChI=1S/C37H22N4/c38-23-27-11-4-5-12-29(27)31-14-8-15-32-30-13-6-7-16-35(30)41(37(31)32)36-22-33(26-17-19-40-20-18-26)28(24-39)21-34(36)25-9-2-1-3-10-25/h1-22H
InChIKeyINZUSGYHLFMSDO-UHFFFAOYSA-N
XLogP8.92
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-phenylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 138566326
5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138565649
4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134292618
9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile
CID 138565912
2,5-bis[4-(2-phenylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134296418
5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566451
5-[2-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566479
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566139
14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene-10,11-dicarbonitrile
CID 121386164
5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138565650
4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 134292574
4-[9-(3-cyano-5-pyridin-4-ylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 138566416

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile?
The IUPAC name of 4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile (CID 138565530) is 4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile?
The canonical SMILES for 4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile is N#Cc1cc(-c2ccccc2)c(-n2c3ccccc3c3cccc(-c4ccccc4C#N)c32)cc1-c1ccncc1.
What is the InChIKey of 4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile?
The InChIKey is INZUSGYHLFMSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N4/c38-23-27-11-4-5-12-29(27)31-14-8-15-32-30-13-6-7-16-35(30)41(37(31)32)36-22-33(26-17-19-40-20-18-26)28(24-39)21-34(36)25-9-2-1-3-10-25/h1-22H.
What are the key properties of 4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile?
4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile has a molecular weight of 522.61 g/mol, XLogP of 8.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 138565530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).