5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile

C36H20N4 — CID 121328756

IUPAC5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C36H20N4/c37-21-23-17-24(22-38)19-27(18-23)40-34-16-14-26(20-31(34)36-28-8-2-1-7-25(28)13-15-35(36)40)39-32-11-5-3-9-29(32)30-10-4-6-12-33(30)39/h1-20H
InChIKeyJQXWETQUBOGLJP-UHFFFAOYSA-N
MW508.58 g/mol
LogP8.78
Rot. Bonds2

About 5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile

5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile (PubChem CID 121328756) has the molecular formula C36H20N4 and a molecular weight of 508.58 g/mol. Its IUPAC name is 5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile
PubChem CID121328756
Molecular FormulaC36H20N4
Molecular Weight508.58 g/mol
Exact Mass508.17
IUPAC Name5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C36H20N4/c37-21-23-17-24(22-38)19-27(18-23)40-34-16-14-26(20-31(34)36-28-8-2-1-7-25(28)13-15-35(36)40)39-32-11-5-3-9-29(32)30-10-4-6-12-33(30)39/h1-20H
InChIKeyJQXWETQUBOGLJP-UHFFFAOYSA-N
XLogP8.78
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.58
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzo[c]carbazol-7-yl-6-(3-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 121329310
7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
CID 70836917
10-carbazol-9-yl-7-iodobenzo[c]carbazole
CID 163563060
2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile
CID 121328874
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-(3,6-diphenylcarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 121324579
5-[6-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyren-1-yl]benzene-1,3-dicarbonitrile
CID 145009651
2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzothiolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 121329260
2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 121328699
7-(9-fluoranthen-2-ylcarbazol-3-yl)benzo[c]carbazole
CID 130295338
4-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzonitrile
CID 121357413
9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958469

Frequently Asked Questions

What is the IUPAC name of 5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile (CID 121328756) is 5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4ccccc4ccc32)c1.
What is the InChIKey of 5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile?
The InChIKey is JQXWETQUBOGLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20N4/c37-21-23-17-24(22-38)19-27(18-23)40-34-16-14-26(20-31(34)36-28-8-2-1-7-25(28)13-15-35(36)40)39-32-11-5-3-9-29(32)30-10-4-6-12-33(30)39/h1-20H.
What are the key properties of 5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile?
5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile has a molecular weight of 508.58 g/mol, XLogP of 8.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 121328756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).