9-[3-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile

C35H20N6 — CID 134476174

IUPAC9-[3-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(C#N)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C35H20N6/c36-21-23-18-19-30-28(20-23)27-15-7-8-16-29(27)41(30)31-17-9-14-26(22-37)32(31)35-39-33(24-10-3-1-4-11-24)38-34(40-35)25-12-5-2-6-13-25/h1-20H
InChIKeyGCOYUAWDKXLBEU-UHFFFAOYSA-N
MW524.59 g/mol
LogP7.71
Rot. Bonds4

About 9-[3-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile

9-[3-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile (PubChem CID 134476174) has the molecular formula C35H20N6 and a molecular weight of 524.59 g/mol. Its IUPAC name is 9-[3-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[3-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
PubChem CID134476174
Molecular FormulaC35H20N6
Molecular Weight524.59 g/mol
Exact Mass524.17
IUPAC Name9-[3-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(C#N)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C35H20N6/c36-21-23-18-19-30-28(20-23)27-15-7-8-16-29(27)41(30)31-17-9-14-26(22-37)32(31)35-39-33(24-10-3-1-4-11-24)38-34(40-35)25-12-5-2-6-13-25/h1-20H
InChIKeyGCOYUAWDKXLBEU-UHFFFAOYSA-N
XLogP7.71
TPSA91.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.59
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 155463156
4-[9-[2-[2-cyano-6-[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155003275
4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 139495805
9-[3-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155604722
3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(2-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 174170172
2-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134512928
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 137414465
3-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 139495502
3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 139495509
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 138729186
9-[2-[2-(3-cyanocarbazol-9-yl)-6-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 147568777
9-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 149260154

Frequently Asked Questions

What is the IUPAC name of 9-[3-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[3-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile (CID 134476174) is 9-[3-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[3-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[3-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(C#N)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 9-[3-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile?
The InChIKey is GCOYUAWDKXLBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20N6/c36-21-23-18-19-30-28(20-23)27-15-7-8-16-29(27)41(30)31-17-9-14-26(22-37)32(31)35-39-33(24-10-3-1-4-11-24)38-34(40-35)25-12-5-2-6-13-25/h1-20H.
What are the key properties of 9-[3-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile?
9-[3-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile has a molecular weight of 524.59 g/mol, XLogP of 7.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 134476174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).