4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile

C38H22N4 — CID 122384230

IUPAC4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4ccc(C#N)cc4)ccc32)cc1
InChIInChI=1S/C38H22N4/c39-23-25-12-17-28(18-13-25)41-34-9-3-1-6-31(34)33-22-27(16-21-36(33)41)30-8-5-11-37-38(30)32-7-2-4-10-35(32)42(37)29-19-14-26(24-40)15-20-29/h1-22H
InChIKeyVQTCYZVDWQCILE-UHFFFAOYSA-N
MW534.62 g/mol
LogP9.29
Rot. Bonds3

About 4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile

4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile (PubChem CID 122384230) has the molecular formula C38H22N4 and a molecular weight of 534.62 g/mol. Its IUPAC name is 4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile
PubChem CID122384230
Molecular FormulaC38H22N4
Molecular Weight534.62 g/mol
Exact Mass534.18
IUPAC Name4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4ccc(C#N)cc4)ccc32)cc1
InChIInChI=1S/C38H22N4/c39-23-25-12-17-28(18-13-25)41-34-9-3-1-6-31(34)33-22-27(16-21-36(33)41)30-8-5-11-37-38(30)32-7-2-4-10-35(32)42(37)29-19-14-26(24-40)15-20-29/h1-22H
InChIKeyVQTCYZVDWQCILE-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

9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
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
4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 138708456
4-[3-[5-[3,5-bis[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]-3-[9-(4-cyanophenyl)carbazol-3-yl]-2-methylphenyl]carbazol-9-yl]benzonitrile
CID 89018423
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
6-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
CID 155369921
3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole
CID 146270951
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile
CID 138675154

Frequently Asked Questions

What is the IUPAC name of 4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile?
The IUPAC name of 4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile (CID 122384230) is 4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile?
The canonical SMILES for 4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile is N#Cc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4ccc(C#N)cc4)ccc32)cc1.
What is the InChIKey of 4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile?
The InChIKey is VQTCYZVDWQCILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4/c39-23-25-12-17-28(18-13-25)41-34-9-3-1-6-31(34)33-22-27(16-21-36(33)41)30-8-5-11-37-38(30)32-7-2-4-10-35(32)42(37)29-19-14-26(24-40)15-20-29/h1-22H.
What are the key properties of 4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile?
4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile 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 4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile is sourced from PubChem (CID 122384230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).