3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile

C32H25N5 — CID 134476151

IUPAC3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
SMILESCc1cc(C)cc(-c2ccc3c4ccccc4n(-c4cc(C#N)ccc4-c4nc(C)nc(C)n4)c3c2)c1
InChIInChI=1S/C32H25N5/c1-19-13-20(2)15-25(14-19)24-10-12-27-26-7-5-6-8-29(26)37(31(27)17-24)30-16-23(18-33)9-11-28(30)32-35-21(3)34-22(4)36-32/h5-17H,1-4H3
InChIKeyVGKYFKOSKZXUMI-UHFFFAOYSA-N
MW479.59 g/mol
LogP7.41
Rot. Bonds3

About 3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile

3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile (PubChem CID 134476151) has the molecular formula C32H25N5 and a molecular weight of 479.59 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile.

Molecular Properties

Compound Name3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
PubChem CID134476151
Molecular FormulaC32H25N5
Molecular Weight479.59 g/mol
Exact Mass479.21
IUPAC Name3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
SMILESCc1cc(C)cc(-c2ccc3c4ccccc4n(-c4cc(C#N)ccc4-c4nc(C)nc(C)n4)c3c2)c1
InChIInChI=1S/C32H25N5/c1-19-13-20(2)15-25(14-19)24-10-12-27-26-7-5-6-8-29(26)37(31(27)17-24)30-16-23(18-33)9-11-28(30)32-35-21(3)34-22(4)36-32/h5-17H,1-4H3
InChIKeyVGKYFKOSKZXUMI-UHFFFAOYSA-N
XLogP7.41
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.59
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508047
3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476167
5-[9-[5-cyano-2-(4,6-dimethylpyrimidin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155014756
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile
CID 134508080
3-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508053
3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476168
4-[9-[5-cyano-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134321342
3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile
CID 155014684
4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508087
4-[2,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543732
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylcarbazol-9-yl)benzonitrile
CID 134476139
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4,5-bis(2-phenylcarbazol-9-yl)benzonitrile
CID 138729657

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
The IUPAC name of 3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile (CID 134476151) is 3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile.
What is the SMILES notation for 3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
The canonical SMILES for 3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile is Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4cc(C#N)ccc4-c4nc(C)nc(C)n4)c3c2)c1.
What is the InChIKey of 3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
The InChIKey is VGKYFKOSKZXUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N5/c1-19-13-20(2)15-25(14-19)24-10-12-27-26-7-5-6-8-29(26)37(31(27)17-24)30-16-23(18-33)9-11-28(30)32-35-21(3)34-22(4)36-32/h5-17H,1-4H3.
What are the key properties of 3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile has a molecular weight of 479.59 g/mol, XLogP of 7.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile is sourced from PubChem (CID 134476151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).