2-[3-(2-carbazol-9-ylphenyl)phenyl]pyridine-4-carbonitrile

C30H19N3 — CID 146543414

IUPAC2-[3-(2-carbazol-9-ylphenyl)phenyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C30H19N3/c31-20-21-16-17-32-27(18-21)23-9-7-8-22(19-23)24-10-1-4-13-28(24)33-29-14-5-2-11-25(29)26-12-3-6-15-30(26)33/h1-19H
InChIKeyVRANWUKTVBZWJJ-UHFFFAOYSA-N
MW421.50 g/mol
LogP7.38
Rot. Bonds3

About 2-[3-(2-carbazol-9-ylphenyl)phenyl]pyridine-4-carbonitrile

2-[3-(2-carbazol-9-ylphenyl)phenyl]pyridine-4-carbonitrile (PubChem CID 146543414) has the molecular formula C30H19N3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[3-(2-carbazol-9-ylphenyl)phenyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[3-(2-carbazol-9-ylphenyl)phenyl]pyridine-4-carbonitrile
PubChem CID146543414
Molecular FormulaC30H19N3
Molecular Weight421.50 g/mol
Exact Mass421.16
IUPAC Name2-[3-(2-carbazol-9-ylphenyl)phenyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C30H19N3/c31-20-21-16-17-32-27(18-21)23-9-7-8-22(19-23)24-10-1-4-13-28(24)33-29-14-5-2-11-25(29)26-12-3-6-15-30(26)33/h1-19H
InChIKeyVRANWUKTVBZWJJ-UHFFFAOYSA-N
XLogP7.38
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-carbazol-9-ylphenyl)phenyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[3-(2-carbazol-9-ylphenyl)phenyl]pyridine-4-carbonitrile (CID 146543414) is 2-[3-(2-carbazol-9-ylphenyl)phenyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[3-(2-carbazol-9-ylphenyl)phenyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[3-(2-carbazol-9-ylphenyl)phenyl]pyridine-4-carbonitrile is N#Cc1ccnc(-c2cccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of 2-[3-(2-carbazol-9-ylphenyl)phenyl]pyridine-4-carbonitrile?
The InChIKey is VRANWUKTVBZWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N3/c31-20-21-16-17-32-27(18-21)23-9-7-8-22(19-23)24-10-1-4-13-28(24)33-29-14-5-2-11-25(29)26-12-3-6-15-30(26)33/h1-19H.
What are the key properties of 2-[3-(2-carbazol-9-ylphenyl)phenyl]pyridine-4-carbonitrile?
2-[3-(2-carbazol-9-ylphenyl)phenyl]pyridine-4-carbonitrile has a molecular weight of 421.50 g/mol, XLogP of 7.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-carbazol-9-ylphenyl)phenyl]pyridine-4-carbonitrile is sourced from PubChem (CID 146543414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).