9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile

C37H23N3 — CID 134597736

IUPAC9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile
SMILESN#Cc1cc2c(cc1-c1ccc3c(c1)c1ccccc1n3-c1ccccc1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C37H23N3/c38-24-26-22-37-33(30-16-8-10-18-35(30)40(37)28-13-5-2-6-14-28)23-31(26)25-19-20-36-32(21-25)29-15-7-9-17-34(29)39(36)27-11-3-1-4-12-27/h1-23H
InChIKeyCUQDVKZHQSVIME-UHFFFAOYSA-N
MW509.61 g/mol
LogP9.42
Rot. Bonds3

About 9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile

9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile (PubChem CID 134597736) has the molecular formula C37H23N3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile
PubChem CID134597736
Molecular FormulaC37H23N3
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC Name9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile
SMILESN#Cc1cc2c(cc1-c1ccc3c(c1)c1ccccc1n3-c1ccccc1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C37H23N3/c38-24-26-22-37-33(30-16-8-10-18-35(30)40(37)28-13-5-2-6-14-28)23-31(26)25-19-20-36-32(21-25)29-15-7-9-17-34(29)39(36)27-11-3-1-4-12-27/h1-23H
InChIKeyCUQDVKZHQSVIME-UHFFFAOYSA-N
XLogP9.42
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 90321526
2-carbazol-9-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 176837359
2-(9-phenylcarbazol-3-yl)-4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile
CID 122414489
2-carbazol-9-yl-5-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122414458
2,3,5,6-tetrakis(9-phenylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 164744316
9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile
CID 134597735
4-[3-cyano-4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-2,6-diphenylpyrimidine-5-carbonitrile
CID 163596205
3-(4,6-diphenylpyrimidin-2-yl)-9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 90348761
2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155357564
2-methyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418402
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
2,6-diphenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 122414507

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile?
The IUPAC name of 9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile (CID 134597736) is 9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile.
What is the SMILES notation for 9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile?
The canonical SMILES for 9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile is N#Cc1cc2c(cc1-c1ccc3c(c1)c1ccccc1n3-c1ccccc1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile?
The InChIKey is CUQDVKZHQSVIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3/c38-24-26-22-37-33(30-16-8-10-18-35(30)40(37)28-13-5-2-6-14-28)23-31(26)25-19-20-36-32(21-25)29-15-7-9-17-34(29)39(36)27-11-3-1-4-12-27/h1-23H.
What are the key properties of 9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile?
9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile has a molecular weight of 509.61 g/mol, XLogP of 9.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile is sourced from PubChem (CID 134597736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).