2-benzo[a]carbazol-11-ylbenzene-1,4-dicarbonitrile

C24H13N3 — CID 121329049

IUPAC2-benzo[a]carbazol-11-ylbenzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-n2c3ccccc3c3ccc4ccccc4c32)c1
InChIInChI=1S/C24H13N3/c25-14-16-9-10-18(15-26)23(13-16)27-22-8-4-3-7-20(22)21-12-11-17-5-1-2-6-19(17)24(21)27/h1-13H
InChIKeyWXSRHHQZIQPXPK-UHFFFAOYSA-N
MW343.39 g/mol
LogP5.68
Rot. Bonds1

About 2-benzo[a]carbazol-11-ylbenzene-1,4-dicarbonitrile

2-benzo[a]carbazol-11-ylbenzene-1,4-dicarbonitrile (PubChem CID 121329049) has the molecular formula C24H13N3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-benzo[a]carbazol-11-ylbenzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-benzo[a]carbazol-11-ylbenzene-1,4-dicarbonitrile
PubChem CID121329049
Molecular FormulaC24H13N3
Molecular Weight343.39 g/mol
Exact Mass343.11
IUPAC Name2-benzo[a]carbazol-11-ylbenzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-n2c3ccccc3c3ccc4ccccc4c32)c1
InChIInChI=1S/C24H13N3/c25-14-16-9-10-18(15-26)23(13-16)27-22-8-4-3-7-20(22)21-12-11-17-5-1-2-6-19(17)24(21)27/h1-13H
InChIKeyWXSRHHQZIQPXPK-UHFFFAOYSA-N
XLogP5.68
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.39
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-bis(benzo[a]carbazol-11-yl)benzene-1,2-dicarbonitrile
CID 121324505
5-benzo[a]carbazol-11-yl-2-carbazol-9-ylbenzonitrile
CID 166027892
2,5-bis(12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-23-yl)benzene-1,4-dicarbonitrile
CID 121328546
2-benzo[a]carbazol-11-ylbenzonitrile;2-benzo[c]carbazol-7-ylbenzonitrile;ethane
CID 145009970
2,3,5,6-tetrakis(benzo[a]carbazol-11-yl)-4-(4-cyanophenyl)benzonitrile
CID 121303127
5-[4-cyano-2,5-bis(2-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139538845
2,5-bis(12-thia-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-23-yl)benzene-1,4-dicarbonitrile
CID 121328964
2,5-bis(benzo[a]carbazol-11-yl)-4,6-di(carbazol-9-yl)benzene-1,3-dicarbonitrile
CID 167257765
2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418130
12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene-7-carbonitrile
CID 118860561
2-[3-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418228
9-[5-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 154958901

Frequently Asked Questions

What is the IUPAC name of 2-benzo[a]carbazol-11-ylbenzene-1,4-dicarbonitrile?
The IUPAC name of 2-benzo[a]carbazol-11-ylbenzene-1,4-dicarbonitrile (CID 121329049) is 2-benzo[a]carbazol-11-ylbenzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-benzo[a]carbazol-11-ylbenzene-1,4-dicarbonitrile?
The canonical SMILES for 2-benzo[a]carbazol-11-ylbenzene-1,4-dicarbonitrile is N#Cc1ccc(C#N)c(-n2c3ccccc3c3ccc4ccccc4c32)c1.
What is the InChIKey of 2-benzo[a]carbazol-11-ylbenzene-1,4-dicarbonitrile?
The InChIKey is WXSRHHQZIQPXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13N3/c25-14-16-9-10-18(15-26)23(13-16)27-22-8-4-3-7-20(22)21-12-11-17-5-1-2-6-19(17)24(21)27/h1-13H.
What are the key properties of 2-benzo[a]carbazol-11-ylbenzene-1,4-dicarbonitrile?
2-benzo[a]carbazol-11-ylbenzene-1,4-dicarbonitrile has a molecular weight of 343.39 g/mol, XLogP of 5.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[a]carbazol-11-ylbenzene-1,4-dicarbonitrile is sourced from PubChem (CID 121329049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).