2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile

C48H29N5 — CID 121328605

IUPAC2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4ccccc4ccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C48H29N5/c49-30-33-23-24-34(31-50)48(47(33)52-42-21-11-9-19-39(42)40-20-10-12-22-43(40)52)53-44-28-26-37(51(35-14-3-1-4-15-35)36-16-5-2-6-17-36)29-41(44)46-38-18-8-7-13-32(38)25-27-45(46)53/h1-29H
InChIKeyFKLKWGANBFUGFS-UHFFFAOYSA-N
MW675.80 g/mol
LogP12.25
Rot. Bonds5

About 2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile

2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile (PubChem CID 121328605) has the molecular formula C48H29N5 and a molecular weight of 675.80 g/mol. Its IUPAC name is 2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
PubChem CID121328605
Molecular FormulaC48H29N5
Molecular Weight675.80 g/mol
Exact Mass675.24
IUPAC Name2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4ccccc4ccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C48H29N5/c49-30-33-23-24-34(31-50)48(47(33)52-42-21-11-9-19-39(42)40-20-10-12-22-43(40)52)53-44-28-26-37(51(35-14-3-1-4-15-35)36-16-5-2-6-17-36)29-41(44)46-38-18-8-7-13-32(38)25-27-45(46)53/h1-29H
InChIKeyFKLKWGANBFUGFS-UHFFFAOYSA-N
XLogP12.25
TPSA60.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.80
LogP ≤ 512.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-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-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 121324500
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-carbazol-9-yl-4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
CID 153462687
2-carbazol-9-yl-3-[N-naphthalen-2-yl-4-(N-phenylanilino)anilino]benzene-1,4-dicarbonitrile
CID 167175620
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
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
3-carbazol-9-yl-4-methyl-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
CID 121307289
2-benzo[c]carbazol-7-yl-5-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile
CID 121328873
4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 153462523
2-carbazol-9-yl-3-(dinaphthalen-2-ylamino)benzene-1,4-dicarbonitrile
CID 167175716
2-benzo[c]carbazol-7-yl-3-[3-[7-(5-benzo[c]carbazol-7-yl-2,4-dicyanophenyl)benzo[c]carbazol-10-yl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
CID 155449841

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile?
The IUPAC name of 2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile (CID 121328605) is 2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile is N#Cc1ccc(C#N)c(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4ccccc4ccc32)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile?
The InChIKey is FKLKWGANBFUGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N5/c49-30-33-23-24-34(31-50)48(47(33)52-42-21-11-9-19-39(42)40-20-10-12-22-43(40)52)53-44-28-26-37(51(35-14-3-1-4-15-35)36-16-5-2-6-17-36)29-41(44)46-38-18-8-7-13-32(38)25-27-45(46)53/h1-29H.
What are the key properties of 2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile?
2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile has a molecular weight of 675.80 g/mol, XLogP of 12.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile is sourced from PubChem (CID 121328605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).