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

C49H30N8 — CID 137414465

IUPAC9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C49H30N8/c50-31-32-25-27-42-39(29-32)38-23-13-14-24-41(38)57(42)43-28-26-37(48-53-44(33-15-5-1-6-16-33)51-45(54-48)34-17-7-2-8-18-34)30-40(43)49-55-46(35-19-9-3-10-20-35)52-47(56-49)36-21-11-4-12-22-36/h1-30H
InChIKeyCLSLYLKAKXQKNN-UHFFFAOYSA-N
MW730.84 g/mol
LogP11.03
Rot. Bonds7

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

9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile (PubChem CID 137414465) has the molecular formula C49H30N8 and a molecular weight of 730.84 g/mol. Its IUPAC name is 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
PubChem CID137414465
Molecular FormulaC49H30N8
Molecular Weight730.84 g/mol
Exact Mass730.26
IUPAC Name9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C49H30N8/c50-31-32-25-27-42-39(29-32)38-23-13-14-24-41(38)57(42)43-28-26-37(48-53-44(33-15-5-1-6-16-33)51-45(54-48)34-17-7-2-8-18-34)30-40(43)49-55-46(35-19-9-3-10-20-35)52-47(56-49)36-21-11-4-12-22-36/h1-30H
InChIKeyCLSLYLKAKXQKNN-UHFFFAOYSA-N
XLogP11.03
TPSA106.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.84
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)benzonitrile
CID 170445850
4-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 137421119
9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 137414575
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole-3-carbonitrile
CID 167261854
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 137414835
5-[2-[3-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
CID 164743999
5-[9-[4-cyano-2-[4-[5-cyano-2-[3-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138712673
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 154603109
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(5-phenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 164744322
9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 155233026
9-[2-(3-cyanophenyl)-4-[2-(3,6-dicyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 139496004
3-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137421286

Frequently Asked Questions

What is the IUPAC name of 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile (CID 137414465) is 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile?
The InChIKey is CLSLYLKAKXQKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N8/c50-31-32-25-27-42-39(29-32)38-23-13-14-24-41(38)57(42)43-28-26-37(48-53-44(33-15-5-1-6-16-33)51-45(54-48)34-17-7-2-8-18-34)30-40(43)49-55-46(35-19-9-3-10-20-35)52-47(56-49)36-21-11-4-12-22-36/h1-30H.
What are the key properties of 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile?
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile has a molecular weight of 730.84 g/mol, XLogP of 11.03, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 137414465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).