2-[5-(2,6-dicyanocyclohexa-1,5-dien-1-yl)-9-phenylcarbazol-3-yl]benzene-1,3-dicarbonitrile

C34H19N5 — CID 163683784

IUPAC2-[5-(2,6-dicyanocyclohexa-1,5-dien-1-yl)-9-phenylcarbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESN#CC1=CCCC(C#N)=C1c1cccc2c1c1cc(-c3c(C#N)cccc3C#N)ccc1n2-c1ccccc1
InChIInChI=1S/C34H19N5/c35-18-23-7-4-8-24(19-36)32(23)22-15-16-30-29(17-22)34-28(33-25(20-37)9-5-10-26(33)21-38)13-6-14-31(34)39(30)27-11-2-1-3-12-27/h1-4,6-9,11-17H,5,10H2
InChIKeyJNAZKAPCSTZZGS-UHFFFAOYSA-N
MW497.56 g/mol
LogP7.72
Rot. Bonds3

About 2-[5-(2,6-dicyanocyclohexa-1,5-dien-1-yl)-9-phenylcarbazol-3-yl]benzene-1,3-dicarbonitrile

2-[5-(2,6-dicyanocyclohexa-1,5-dien-1-yl)-9-phenylcarbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 163683784) has the molecular formula C34H19N5 and a molecular weight of 497.56 g/mol. Its IUPAC name is 2-[5-(2,6-dicyanocyclohexa-1,5-dien-1-yl)-9-phenylcarbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[5-(2,6-dicyanocyclohexa-1,5-dien-1-yl)-9-phenylcarbazol-3-yl]benzene-1,3-dicarbonitrile
PubChem CID163683784
Molecular FormulaC34H19N5
Molecular Weight497.56 g/mol
Exact Mass497.16
IUPAC Name2-[5-(2,6-dicyanocyclohexa-1,5-dien-1-yl)-9-phenylcarbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESN#CC1=CCCC(C#N)=C1c1cccc2c1c1cc(-c3c(C#N)cccc3C#N)ccc1n2-c1ccccc1
InChIInChI=1S/C34H19N5/c35-18-23-7-4-8-24(19-36)32(23)22-15-16-30-29(17-22)34-28(33-25(20-37)9-5-10-26(33)21-38)13-6-14-31(34)39(30)27-11-2-1-3-12-27/h1-4,6-9,11-17H,5,10H2
InChIKeyJNAZKAPCSTZZGS-UHFFFAOYSA-N
XLogP7.72
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.56
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155357564
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-(6-dibenzofuran-2-yl-9-phenylcarbazol-4-yl)benzonitrile
CID 148667920
6-carbazol-9-yl-9-phenylcarbazole-4-carbonitrile
CID 134597730
2-[5-(2-cyano-6-isocyanophenyl)-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155645644
2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile
CID 155357795
(5-cyano-9-phenylcarbazol-3-yl)boronic acid
CID 178064371
2-(3,9-diphenylcarbazol-4-yl)benzene-1,3-dicarbonitrile
CID 155357747
2-[7-(6-phenylindolo[2,3-b]indol-5-yl)phenanthren-2-yl]benzene-1,3-dicarbonitrile
CID 145009640
2-[9-(3-carbazol-9-ylphenyl)-8-(2,6-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155357604
5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 134369790

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,6-dicyanocyclohexa-1,5-dien-1-yl)-9-phenylcarbazol-3-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[5-(2,6-dicyanocyclohexa-1,5-dien-1-yl)-9-phenylcarbazol-3-yl]benzene-1,3-dicarbonitrile (CID 163683784) is 2-[5-(2,6-dicyanocyclohexa-1,5-dien-1-yl)-9-phenylcarbazol-3-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[5-(2,6-dicyanocyclohexa-1,5-dien-1-yl)-9-phenylcarbazol-3-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[5-(2,6-dicyanocyclohexa-1,5-dien-1-yl)-9-phenylcarbazol-3-yl]benzene-1,3-dicarbonitrile is N#CC1=CCCC(C#N)=C1c1cccc2c1c1cc(-c3c(C#N)cccc3C#N)ccc1n2-c1ccccc1.
What is the InChIKey of 2-[5-(2,6-dicyanocyclohexa-1,5-dien-1-yl)-9-phenylcarbazol-3-yl]benzene-1,3-dicarbonitrile?
The InChIKey is JNAZKAPCSTZZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N5/c35-18-23-7-4-8-24(19-36)32(23)22-15-16-30-29(17-22)34-28(33-25(20-37)9-5-10-26(33)21-38)13-6-14-31(34)39(30)27-11-2-1-3-12-27/h1-4,6-9,11-17H,5,10H2.
What are the key properties of 2-[5-(2,6-dicyanocyclohexa-1,5-dien-1-yl)-9-phenylcarbazol-3-yl]benzene-1,3-dicarbonitrile?
2-[5-(2,6-dicyanocyclohexa-1,5-dien-1-yl)-9-phenylcarbazol-3-yl]benzene-1,3-dicarbonitrile has a molecular weight of 497.56 g/mol, XLogP of 7.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,6-dicyanocyclohexa-1,5-dien-1-yl)-9-phenylcarbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 163683784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).