5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile

C42H24N4 — CID 144765572

IUPAC5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C42H24N4/c43-25-27-22-31(26-44)42(46-36-16-8-6-14-33(36)35-24-30(19-20-38(35)46)28-10-2-1-3-11-28)40(23-27)45-37-17-9-7-15-34(37)41-32-13-5-4-12-29(32)18-21-39(41)45/h1-24H
InChIKeySVQXCHLOHBHYJA-UHFFFAOYSA-N
MW584.68 g/mol
LogP10.44
Rot. Bonds3

About 5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile

5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile (PubChem CID 144765572) has the molecular formula C42H24N4 and a molecular weight of 584.68 g/mol. Its IUPAC name is 5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
PubChem CID144765572
Molecular FormulaC42H24N4
Molecular Weight584.68 g/mol
Exact Mass584.20
IUPAC Name5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C42H24N4/c43-25-27-22-31(26-44)42(46-36-16-8-6-14-33(36)35-24-30(19-20-38(35)46)28-10-2-1-3-11-28)40(23-27)45-37-17-9-7-15-34(37)41-32-13-5-4-12-29(32)18-21-39(41)45/h1-24H
InChIKeySVQXCHLOHBHYJA-UHFFFAOYSA-N
XLogP10.44
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.68
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbazol-9-yl-4-methyl-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
CID 121307289
4-(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)-3-[3-[7-(2-carbazol-9-yl-3,4-dicyanophenyl)benzo[c]carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 155450666
2-benzo[c]carbazol-7-yl-5-[10-[4-(2-phenylpropan-2-yl)phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
CID 155417153
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
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328701
5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-(3,6-diphenylcarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 121324579
2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile
CID 121328874
3,4-bis(benzo[c]carbazol-7-yl)-5-methanimidoylbenzonitrile
CID 121307202
7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033
4-benzo[c]carbazol-7-yl-5-isocyano-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile
CID 153462299
5-benzo[c]carbazol-7-yl-4-isocyano-2-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]benzonitrile
CID 153462349
4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]-5-isocyanobenzene-1,3-dicarbonitrile
CID 140827081

Frequently Asked Questions

What is the IUPAC name of 5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile (CID 144765572) is 5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3c4ccccc4ccc32)c1.
What is the InChIKey of 5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile?
The InChIKey is SVQXCHLOHBHYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4/c43-25-27-22-31(26-44)42(46-36-16-8-6-14-33(36)35-24-30(19-20-38(35)46)28-10-2-1-3-11-28)40(23-27)45-37-17-9-7-15-34(37)41-32-13-5-4-12-29(32)18-21-39(41)45/h1-24H.
What are the key properties of 5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile?
5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile has a molecular weight of 584.68 g/mol, XLogP of 10.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 144765572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).