2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile

C20H13N3 — CID 118983962

IUPAC2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-n1c2c(c3ccccc31)CCC=C2
InChIInChI=1S/C20H13N3/c21-12-14-6-5-7-15(13-22)20(14)23-18-10-3-1-8-16(18)17-9-2-4-11-19(17)23/h1,3-8,10-11H,2,9H2
InChIKeyTVGKEUOPTJEGJT-UHFFFAOYSA-N
MW295.35 g/mol
LogP4.33
Rot. Bonds1

About 2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile

2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile (PubChem CID 118983962) has the molecular formula C20H13N3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile
PubChem CID118983962
Molecular FormulaC20H13N3
Molecular Weight295.35 g/mol
Exact Mass295.11
IUPAC Name2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-n1c2c(c3ccccc31)CCC=C2
InChIInChI=1S/C20H13N3/c21-12-14-6-5-7-15(13-22)20(14)23-18-10-3-1-8-16(18)17-9-2-4-11-19(17)23/h1,3-8,10-11H,2,9H2
InChIKeyTVGKEUOPTJEGJT-UHFFFAOYSA-N
XLogP4.33
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dihydrocarbazol-9-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

4,6-di(carbazol-9-yl)-2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 146580320
4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzene-1,3-dicarbonitrile
CID 166727336
3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile
CID 174292944
3-amino-2,4-di(carbazol-9-yl)-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzonitrile
CID 166727182
5-[2,4,5-tri(carbazol-9-yl)-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 145186417
9-[2-[2-[2-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole
CID 130218112
N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline
CID 130371057
4-[3-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]-5-(3,4-dihydrocarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 167280735
2-carbazol-9-yl-3-[3-cyano-4-[(2E,4E)-4-(3,4-dihydrocarbazol-9-yl)hepta-2,4-dien-6-yn-2-yl]phenyl]benzonitrile
CID 167280223
3-(3,4-dihydropyrido[3,4-b]indol-9-yl)-5-(5,6-dihydropyrido[3,4-b]indol-9-yl)benzonitrile
CID 166777800
3-(2-carbazol-9-ylphenyl)-4-[4-cyano-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile
CID 167280385
2-(21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-21-yl)benzene-1,3-dicarbonitrile
CID 121324496

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile (CID 118983962) is 2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-n1c2c(c3ccccc31)CCC=C2.
What is the InChIKey of 2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile?
The InChIKey is TVGKEUOPTJEGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3/c21-12-14-6-5-7-15(13-22)20(14)23-18-10-3-1-8-16(18)17-9-2-4-11-19(17)23/h1,3-8,10-11H,2,9H2.
What are the key properties of 2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile?
2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile has a molecular weight of 295.35 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 118983962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).