2-[3,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile

C38H22N4 — CID 129303675

IUPAC2-[3,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C38H22N4/c39-23-26-10-9-11-27(24-40)38(26)25-20-21-36(41-32-16-5-1-12-28(32)29-13-2-6-17-33(29)41)37(22-25)42-34-18-7-3-14-30(34)31-15-4-8-19-35(31)42/h1-22H
InChIKeyCCBKTDBDJWTLSA-UHFFFAOYSA-N
MW534.62 g/mol
LogP9.29
Rot. Bonds3

About 2-[3,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile

2-[3,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile (PubChem CID 129303675) has the molecular formula C38H22N4 and a molecular weight of 534.62 g/mol. Its IUPAC name is 2-[3,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[3,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
PubChem CID129303675
Molecular FormulaC38H22N4
Molecular Weight534.62 g/mol
Exact Mass534.18
IUPAC Name2-[3,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C38H22N4/c39-23-26-10-9-11-27(24-40)38(26)25-20-21-36(41-32-16-5-1-12-28(32)29-13-2-6-17-33(29)41)37(22-25)42-34-18-7-3-14-30(34)31-15-4-8-19-35(31)42/h1-22H
InChIKeyCCBKTDBDJWTLSA-UHFFFAOYSA-N
XLogP9.29
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.62
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155357564
3-carbazol-9-yl-2-[2-(3-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
CID 155080460
3-carbazol-9-yl-2-[4-(4-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile
CID 155079568
4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzene-1,3-dicarbonitrile
CID 155081385
9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958854
9-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 149260154
2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129303673
3-carbazol-9-yl-2-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]benzonitrile
CID 155079904
9-[4-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079670
2-[2-(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazol-1-yl]benzene-1,3-dicarbonitrile
CID 134604428
9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 147595395
9-[4-[4-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2-carbonitrile
CID 155081355

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[3,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile (CID 129303675) is 2-[3,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[3,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[3,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-c1ccc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-[3,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile?
The InChIKey is CCBKTDBDJWTLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4/c39-23-26-10-9-11-27(24-40)38(26)25-20-21-36(41-32-16-5-1-12-28(32)29-13-2-6-17-33(29)41)37(22-25)42-34-18-7-3-14-30(34)31-15-4-8-19-35(31)42/h1-22H.
What are the key properties of 2-[3,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile?
2-[3,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile has a molecular weight of 534.62 g/mol, XLogP of 9.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 129303675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).