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

C40H20N6 — CID 121354175

IUPAC4-[3-[9-(3,4-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(C#N)c(C#N)c4)ccc32)cc1C#N
InChIInChI=1S/C40H20N6/c41-21-27-9-13-31(17-29(27)23-43)45-37-7-3-1-5-33(37)35-19-25(11-15-39(35)45)26-12-16-40-36(20-26)34-6-2-4-8-38(34)46(40)32-14-10-28(22-42)30(18-32)24-44/h1-20H
InChIKeyLZTJWBOJAILVPI-UHFFFAOYSA-N
MW584.64 g/mol
LogP9.03
Rot. Bonds3

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

4-[3-[9-(3,4-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile (PubChem CID 121354175) has the molecular formula C40H20N6 and a molecular weight of 584.64 g/mol. Its IUPAC name is 4-[3-[9-(3,4-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[3-[9-(3,4-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile
PubChem CID121354175
Molecular FormulaC40H20N6
Molecular Weight584.64 g/mol
Exact Mass584.17
IUPAC Name4-[3-[9-(3,4-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(C#N)c(C#N)c4)ccc32)cc1C#N
InChIInChI=1S/C40H20N6/c41-21-27-9-13-31(17-29(27)23-43)45-37-7-3-1-5-33(37)35-19-25(11-15-39(35)45)26-12-16-40-36(20-26)34-6-2-4-8-38(34)46(40)32-14-10-28(22-42)30(18-32)24-44/h1-20H
InChIKeyLZTJWBOJAILVPI-UHFFFAOYSA-N
XLogP9.03
TPSA105.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.64
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(6,9-diphenylcarbazol-2-yl)-6-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile
CID 122418234
4-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 146573167
4-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]benzene-1,2-dicarbonitrile
CID 140903142
4-[4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,2-dicarbonitrile
CID 140903115
5-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]benzonitrile
CID 138735931
2-[2-cyano-5-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile;ethane
CID 145427145
4-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759079
2-isocyano-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile
CID 123932337
2-[3-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418228
2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155357564
2-methyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418402
4-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 122418325

Frequently Asked Questions

What is the IUPAC name of 4-[3-[9-(3,4-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[3-[9-(3,4-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile (CID 121354175) is 4-[3-[9-(3,4-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[3-[9-(3,4-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[3-[9-(3,4-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile is N#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(C#N)c(C#N)c4)ccc32)cc1C#N.
What is the InChIKey of 4-[3-[9-(3,4-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile?
The InChIKey is LZTJWBOJAILVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H20N6/c41-21-27-9-13-31(17-29(27)23-43)45-37-7-3-1-5-33(37)35-19-25(11-15-39(35)45)26-12-16-40-36(20-26)34-6-2-4-8-38(34)46(40)32-14-10-28(22-42)30(18-32)24-44/h1-20H.
What are the key properties of 4-[3-[9-(3,4-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile?
4-[3-[9-(3,4-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile has a molecular weight of 584.64 g/mol, XLogP of 9.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[9-(3,4-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 121354175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).