6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile

C51H28N6 — CID 154958315

IUPAC6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccc(-c2ccccc2-n2c3ccccc3c3cc(C#N)ccc32)cc1C#N
InChIInChI=1S/C51H28N6/c52-29-32-17-21-49-41(25-32)40-12-4-8-16-48(40)57(49)45-13-5-1-9-37(45)34-19-23-44(35(27-34)31-54)56-50-22-18-33(30-53)26-42(50)43-28-36(20-24-51(43)56)55-46-14-6-2-10-38(46)39-11-3-7-15-47(39)55/h1-28H
InChIKeyAOVITAPDCFQILT-UHFFFAOYSA-N
MW724.83 g/mol
LogP12.26
Rot. Bonds4

About 6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile

6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 154958315) has the molecular formula C51H28N6 and a molecular weight of 724.83 g/mol. Its IUPAC name is 6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
PubChem CID154958315
Molecular FormulaC51H28N6
Molecular Weight724.83 g/mol
Exact Mass724.24
IUPAC Name6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccc(-c2ccccc2-n2c3ccccc3c3cc(C#N)ccc32)cc1C#N
InChIInChI=1S/C51H28N6/c52-29-32-17-21-49-41(25-32)40-12-4-8-16-48(40)57(49)45-13-5-1-9-37(45)34-19-23-44(35(27-34)31-54)56-50-22-18-33(30-53)26-42(50)43-28-36(20-24-51(43)56)55-46-14-6-2-10-38(46)39-11-3-7-15-47(39)55/h1-28H
InChIKeyAOVITAPDCFQILT-UHFFFAOYSA-N
XLogP12.26
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.83
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-carbazol-9-yl-9-[2-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958499
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155080575
6-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 149191639
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155081602
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155081617
9-[2-[3-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081345
9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079728
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155080077
9-[2-[3-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080885
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-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081374

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile?
The IUPAC name of 6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile (CID 154958315) is 6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccc(-c2ccccc2-n2c3ccccc3c3cc(C#N)ccc32)cc1C#N.
What is the InChIKey of 6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile?
The InChIKey is AOVITAPDCFQILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28N6/c52-29-32-17-21-49-41(25-32)40-12-4-8-16-48(40)57(49)45-13-5-1-9-37(45)34-19-23-44(35(27-34)31-54)56-50-22-18-33(30-53)26-42(50)43-28-36(20-24-51(43)56)55-46-14-6-2-10-38(46)39-11-3-7-15-47(39)55/h1-28H.
What are the key properties of 6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile?
6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile has a molecular weight of 724.83 g/mol, XLogP of 12.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 154958315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).