2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)benzonitrile

C25H19N5 — CID 134476238

IUPAC2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)benzonitrile
SMILESCc1ccc2c3ccccc3n(-c3ccc(C#N)c(-c4nc(C)nc(C)n4)c3)c2c1
InChIInChI=1S/C25H19N5/c1-15-8-11-21-20-6-4-5-7-23(20)30(24(21)12-15)19-10-9-18(14-26)22(13-19)25-28-16(2)27-17(3)29-25/h4-13H,1-3H3
InChIKeyWNGCDHSGLRYWPR-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.43
Rot. Bonds2

About 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)benzonitrile

2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)benzonitrile (PubChem CID 134476238) has the molecular formula C25H19N5 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)benzonitrile
PubChem CID134476238
Molecular FormulaC25H19N5
Molecular Weight389.46 g/mol
Exact Mass389.16
IUPAC Name2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)benzonitrile
SMILESCc1ccc2c3ccccc3n(-c3ccc(C#N)c(-c4nc(C)nc(C)n4)c3)c2c1
InChIInChI=1S/C25H19N5/c1-15-8-11-21-20-6-4-5-7-23(20)30(24(21)12-15)19-10-9-18(14-26)22(13-19)25-28-16(2)27-17(3)29-25/h4-13H,1-3H3
InChIKeyWNGCDHSGLRYWPR-UHFFFAOYSA-N
XLogP5.43
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)benzonitrile
CID 134508120
5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134512991
4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 134508031
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4,5-bis(2-phenylcarbazol-9-yl)benzonitrile
CID 138729657
2-[2-cyano-5-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile;ethane
CID 145427145
9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 154957965
4,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-(2,6-dimethylpyrimidin-4-yl)benzonitrile
CID 139420026
2-methyl-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole
CID 170097956
4-(4,6-dimethylpyrimidin-2-yl)-2-(2-methylcarbazol-9-yl)benzonitrile
CID 146699426
3-[2-[4-[2-(3-cyanophenyl)-5-(3-methylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile
CID 154950457
2-(2,6-dimethyl-4-pyridinyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile
CID 134292728
9-[4-cyano-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 134513059

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)benzonitrile?
The IUPAC name of 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)benzonitrile (CID 134476238) is 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)benzonitrile is Cc1ccc2c3ccccc3n(-c3ccc(C#N)c(-c4nc(C)nc(C)n4)c3)c2c1.
What is the InChIKey of 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)benzonitrile?
The InChIKey is WNGCDHSGLRYWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5/c1-15-8-11-21-20-6-4-5-7-23(20)30(24(21)12-15)19-10-9-18(14-26)22(13-19)25-28-16(2)27-17(3)29-25/h4-13H,1-3H3.
What are the key properties of 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)benzonitrile?
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)benzonitrile has a molecular weight of 389.46 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 134476238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).