9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile

C43H27N3 — CID 167403949

IUPAC9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3ccccc3-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2c1
InChIInChI=1S/C43H27N3/c44-28-29-22-24-37-35-17-7-11-21-41(35)46(43(37)26-29)40-20-10-6-16-34(40)33-15-5-4-14-32(33)30-23-25-42-38(27-30)36-18-8-9-19-39(36)45(42)31-12-2-1-3-13-31/h1-27H
InChIKeyINCWWIMNSDEBSU-UHFFFAOYSA-N
MW585.71 g/mol
LogP11.09
Rot. Bonds4

About 9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile

9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile (PubChem CID 167403949) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile
PubChem CID167403949
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3ccccc3-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2c1
InChIInChI=1S/C43H27N3/c44-28-29-22-24-37-35-17-7-11-21-41(35)46(43(37)26-29)40-20-10-6-16-34(40)33-15-5-4-14-32(33)30-23-25-42-38(27-30)36-18-8-9-19-39(36)45(42)31-12-2-1-3-13-31/h1-27H
InChIKeyINCWWIMNSDEBSU-UHFFFAOYSA-N
XLogP11.09
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[2-[2-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155080141
9-[2-[5-cyano-2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081532
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155080077
9-[3-[2-(2-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081672
4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 164743889
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 155080742
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 155081299
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
9-[2-[3-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080885
9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155079786
9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081565
9-[4-[4-cyano-3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080950

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile?
The IUPAC name of 9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile (CID 167403949) is 9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile.
What is the SMILES notation for 9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile?
The canonical SMILES for 9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile is N#Cc1ccc2c3ccccc3n(-c3ccccc3-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2c1.
What is the InChIKey of 9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile?
The InChIKey is INCWWIMNSDEBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c44-28-29-22-24-37-35-17-7-11-21-41(35)46(43(37)26-29)40-20-10-6-16-34(40)33-15-5-4-14-32(33)30-23-25-42-38(27-30)36-18-8-9-19-39(36)45(42)31-12-2-1-3-13-31/h1-27H.
What are the key properties of 9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile?
9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile has a molecular weight of 585.71 g/mol, XLogP of 11.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile is sourced from PubChem (CID 167403949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).