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

C44H26N4 — CID 155080742

IUPAC9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccc(C#N)cc32)c(-c2ccccc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C44H26N4/c45-27-29-21-23-43(48-42-19-8-5-16-37(42)38-22-20-30(28-46)25-44(38)48)39(24-29)34-13-2-1-12-33(34)31-10-9-11-32(26-31)47-40-17-6-3-14-35(40)36-15-4-7-18-41(36)47/h1-26H
InChIKeyVBHHFRLRLKJHHC-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

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

9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile (PubChem CID 155080742) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
PubChem CID155080742
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccc(C#N)cc32)c(-c2ccccc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C44H26N4/c45-27-29-21-23-43(48-42-19-8-5-16-37(42)38-22-20-30(28-46)25-44(38)48)39(24-29)34-13-2-1-12-33(34)31-10-9-11-32(26-31)47-40-17-6-3-14-35(40)36-15-4-7-18-41(36)47/h1-26H
InChIKeyVBHHFRLRLKJHHC-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

9-[3-[2-(2-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081672
9-[3-[2-(2-carbazol-9-yl-5-cyanophenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080892
9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
CID 148661085
9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 155079719
9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]-4-cyanophenyl]carbazole-3-carbonitrile
CID 155080249
9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 167403949
9-[3-[2-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080904
9-[2-[3-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081646
9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081621
9-[3-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155080179
9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155079786
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155080706

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile?
The IUPAC name of 9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile (CID 155080742) is 9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile.
What is the SMILES notation for 9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile?
The canonical SMILES for 9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile is N#Cc1ccc(-n2c3ccccc3c3ccc(C#N)cc32)c(-c2ccccc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of 9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile?
The InChIKey is VBHHFRLRLKJHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-29-21-23-43(48-42-19-8-5-16-37(42)38-22-20-30(28-46)25-44(38)48)39(24-29)34-13-2-1-12-33(34)31-10-9-11-32(26-31)47-40-17-6-3-14-35(40)36-15-4-7-18-41(36)47/h1-26H.
What are the key properties of 9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile?
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-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-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile is sourced from PubChem (CID 155080742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).