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

C37H25N3 — CID 138566479

IUPAC5-[2-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
SMILESCc1ccccc1-c1ccc2c3ccccc3n(-c3cc(C#N)c(-c4ccncc4)cc3-c3ccccc3)c2c1
InChIInChI=1S/C37H25N3/c1-25-9-5-6-12-30(25)28-15-16-32-31-13-7-8-14-35(31)40(36(32)21-28)37-22-29(24-38)33(27-17-19-39-20-18-27)23-34(37)26-10-3-2-4-11-26/h2-23H,1H3
InChIKeyAVAIJWUDBCRKFI-UHFFFAOYSA-N
MW511.63 g/mol
LogP9.36
Rot. Bonds4

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

5-[2-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile (PubChem CID 138566479) has the molecular formula C37H25N3 and a molecular weight of 511.63 g/mol. Its IUPAC name is 5-[2-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name5-[2-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
PubChem CID138566479
Molecular FormulaC37H25N3
Molecular Weight511.63 g/mol
Exact Mass511.20
IUPAC Name5-[2-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
SMILESCc1ccccc1-c1ccc2c3ccccc3n(-c3cc(C#N)c(-c4ccncc4)cc3-c3ccccc3)c2c1
InChIInChI=1S/C37H25N3/c1-25-9-5-6-12-30(25)28-15-16-32-31-13-7-8-14-35(31)40(36(32)21-28)37-22-29(24-38)33(27-17-19-39-20-18-27)23-34(37)26-10-3-2-4-11-26/h2-23H,1H3
InChIKeyAVAIJWUDBCRKFI-UHFFFAOYSA-N
XLogP9.36
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.63
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-[2-(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 138565570
5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566451
4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile;9-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-isocyano-2-[3-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-3-(2-methylphenyl)carbazole
CID 157242392
4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134292618
4,5-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 146617377
5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile
CID 138565580
2-(4,6-diphenylpyrimidin-2-yl)-4,5-bis[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 155217558
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-bis[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138729658
5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138565649
4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134302157
4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-methyl-2-pyridin-4-ylbenzonitrile
CID 138565529
4-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis[2-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 134300544

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile?
The IUPAC name of 5-[2-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile (CID 138566479) is 5-[2-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 5-[2-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile?
The canonical SMILES for 5-[2-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile is Cc1ccccc1-c1ccc2c3ccccc3n(-c3cc(C#N)c(-c4ccncc4)cc3-c3ccccc3)c2c1.
What is the InChIKey of 5-[2-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile?
The InChIKey is AVAIJWUDBCRKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N3/c1-25-9-5-6-12-30(25)28-15-16-32-31-13-7-8-14-35(31)40(36(32)21-28)37-22-29(24-38)33(27-17-19-39-20-18-27)23-34(37)26-10-3-2-4-11-26/h2-23H,1H3.
What are the key properties of 5-[2-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile?
5-[2-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile has a molecular weight of 511.63 g/mol, XLogP of 9.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 138566479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).