2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile

C36H22N4 — CID 121324500

IUPAC2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-n1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2c3ccccc3ccc21
InChIInChI=1S/C36H22N4/c37-23-26-11-9-12-27(24-38)36(26)40-33-21-19-30(39(28-13-3-1-4-14-28)29-15-5-2-6-16-29)22-32(33)35-31-17-8-7-10-25(31)18-20-34(35)40/h1-22H
InChIKeyICDYGNUFIBRNOG-UHFFFAOYSA-N
MW510.60 g/mol
LogP9.15
Rot. Bonds4

About 2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile

2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile (PubChem CID 121324500) has the molecular formula C36H22N4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
PubChem CID121324500
Molecular FormulaC36H22N4
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-n1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2c3ccccc3ccc21
InChIInChI=1S/C36H22N4/c37-23-26-11-9-12-27(24-38)36(26)40-33-21-19-30(39(28-13-3-1-4-14-28)29-15-5-2-6-16-29)22-32(33)35-31-17-8-7-10-25(31)18-20-34(35)40/h1-22H
InChIKeyICDYGNUFIBRNOG-UHFFFAOYSA-N
XLogP9.15
TPSA55.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile 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

2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
CID 121328605
4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 121307484
2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 121328730
5-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
CID 153462451
5-carbazol-9-yl-4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
CID 153462687
2-benzo[c]carbazol-7-yl-5-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile
CID 121328873
2-carbazol-9-yl-3-[N-naphthalen-2-yl-4-(N-phenylanilino)anilino]benzene-1,4-dicarbonitrile
CID 167175620
2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile
CID 121328874
7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine
CID 153462466
2-[3-tert-butyl-6-[1-[4-(N-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]anilino)phenyl]-2-methylpropan-2-yl]carbazol-9-yl]-3-[3-[3-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
CID 170134661
4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 153462523
2-benzo[c]carbazol-7-yl-5-[12,12-dimethyl-8-(N-phenylanilino)indeno[2,1-a]carbazol-11-yl]benzene-1,4-dicarbonitrile
CID 121328868

Frequently Asked Questions

What is the IUPAC name of 2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile (CID 121324500) is 2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-n1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2c3ccccc3ccc21.
What is the InChIKey of 2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile?
The InChIKey is ICDYGNUFIBRNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/c37-23-26-11-9-12-27(24-38)36(26)40-33-21-19-30(39(28-13-3-1-4-14-28)29-15-5-2-6-16-29)22-32(33)35-31-17-8-7-10-25(31)18-20-34(35)40/h1-22H.
What are the key properties of 2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile?
2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile has a molecular weight of 510.60 g/mol, XLogP of 9.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 121324500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).