9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-6-cyanophenyl]carbazole-1-carbonitrile

C44H26N4 — CID 155079672

IUPAC9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-6-cyanophenyl]carbazole-1-carbonitrile
SMILESN#Cc1cccc(-c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c1-n1c2ccccc2c2cccc(C#N)c21
InChIInChI=1S/C44H26N4/c45-27-32-11-8-17-35(43(32)48-42-21-6-3-16-38(42)39-18-9-12-33(28-46)44(39)48)30-24-22-29(23-25-30)31-10-7-13-34(26-31)47-40-19-4-1-14-36(40)37-15-2-5-20-41(37)47/h1-26H
InChIKeyKZPOVMPJTXYQQD-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

About 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-6-cyanophenyl]carbazole-1-carbonitrile

9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-6-cyanophenyl]carbazole-1-carbonitrile (PubChem CID 155079672) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-6-cyanophenyl]carbazole-1-carbonitrile.

Molecular Properties

Compound Name9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-6-cyanophenyl]carbazole-1-carbonitrile
PubChem CID155079672
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-6-cyanophenyl]carbazole-1-carbonitrile
SMILESN#Cc1cccc(-c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c1-n1c2ccccc2c2cccc(C#N)c21
InChIInChI=1S/C44H26N4/c45-27-32-11-8-17-35(43(32)48-42-21-6-3-16-38(42)39-18-9-12-33(28-46)44(39)48)30-24-22-29(23-25-30)31-10-7-13-34(26-31)47-40-19-4-1-14-36(40)37-15-2-5-20-41(37)47/h1-26H
InChIKeyKZPOVMPJTXYQQD-UHFFFAOYSA-N
XLogP10.96
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-carbazol-9-yl-3-[4-(3-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155079640
9-[2-cyano-6-[3-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080276
9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079630
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155081789
9-[5-[3-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile
CID 152797352
2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile
CID 155080383
9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile
CID 134597735
2-carbazol-9-yl-3-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile
CID 167336323
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081749
9-[3-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081730
9-[2-[2-cyano-5-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155081162
9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080273

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-6-cyanophenyl]carbazole-1-carbonitrile?
The IUPAC name of 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-6-cyanophenyl]carbazole-1-carbonitrile (CID 155079672) is 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-6-cyanophenyl]carbazole-1-carbonitrile.
What is the SMILES notation for 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-6-cyanophenyl]carbazole-1-carbonitrile?
The canonical SMILES for 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-6-cyanophenyl]carbazole-1-carbonitrile is N#Cc1cccc(-c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c1-n1c2ccccc2c2cccc(C#N)c21.
What is the InChIKey of 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-6-cyanophenyl]carbazole-1-carbonitrile?
The InChIKey is KZPOVMPJTXYQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-32-11-8-17-35(43(32)48-42-21-6-3-16-38(42)39-18-9-12-33(28-46)44(39)48)30-24-22-29(23-25-30)31-10-7-13-34(26-31)47-40-19-4-1-14-36(40)37-15-2-5-20-41(37)47/h1-26H.
What are the key properties of 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-6-cyanophenyl]carbazole-1-carbonitrile?
9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-6-cyanophenyl]carbazole-1-carbonitrile has a molecular weight of 610.72 g/mol, XLogP of 10.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-6-cyanophenyl]carbazole-1-carbonitrile is sourced from PubChem (CID 155079672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).