4-(4,6-dimethylpyrimidin-2-yl)-2-(2-methylcarbazol-9-yl)benzonitrile

C26H20N4 — CID 146699426

IUPAC4-(4,6-dimethylpyrimidin-2-yl)-2-(2-methylcarbazol-9-yl)benzonitrile
SMILESCc1ccc2c3ccccc3n(-c3cc(-c4nc(C)cc(C)n4)ccc3C#N)c2c1
InChIInChI=1S/C26H20N4/c1-16-8-11-22-21-6-4-5-7-23(21)30(25(22)12-16)24-14-19(9-10-20(24)15-27)26-28-17(2)13-18(3)29-26/h4-14H,1-3H3
InChIKeyQSWNXVXARFOGFD-UHFFFAOYSA-N
MW388.47 g/mol
LogP6.04
Rot. Bonds2

About 4-(4,6-dimethylpyrimidin-2-yl)-2-(2-methylcarbazol-9-yl)benzonitrile

4-(4,6-dimethylpyrimidin-2-yl)-2-(2-methylcarbazol-9-yl)benzonitrile (PubChem CID 146699426) has the molecular formula C26H20N4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-(4,6-dimethylpyrimidin-2-yl)-2-(2-methylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name4-(4,6-dimethylpyrimidin-2-yl)-2-(2-methylcarbazol-9-yl)benzonitrile
PubChem CID146699426
Molecular FormulaC26H20N4
Molecular Weight388.47 g/mol
Exact Mass388.17
IUPAC Name4-(4,6-dimethylpyrimidin-2-yl)-2-(2-methylcarbazol-9-yl)benzonitrile
SMILESCc1ccc2c3ccccc3n(-c3cc(-c4nc(C)cc(C)n4)ccc3C#N)c2c1
InChIInChI=1S/C26H20N4/c1-16-8-11-22-21-6-4-5-7-23(21)30(25(22)12-16)24-14-19(9-10-20(24)15-27)26-28-17(2)13-18(3)29-26/h4-14H,1-3H3
InChIKeyQSWNXVXARFOGFD-UHFFFAOYSA-N
XLogP6.04
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-(4,6-dimethylpyrimidin-2-yl)-2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 155217685
2-(2,6-dimethyl-4-pyridinyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile
CID 134292728
4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[2-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 140871885
2,6-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile
CID 155217681
2-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134512928
2-(2-tert-butylcarbazol-9-yl)-4-[3-(2-tert-butylcarbazol-9-yl)-4-cyanophenyl]benzonitrile
CID 138736013
2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292741
2,5-bis(2-tert-butylcarbazol-9-yl)-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile
CID 155217500
4-(2,6-dimethyl-4-pyridinyl)-2,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 134296333
2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508036
4-(4,6-dimethylpyrimidin-2-yl)-2,5-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 158411914

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)-2-(2-methylcarbazol-9-yl)benzonitrile?
The IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)-2-(2-methylcarbazol-9-yl)benzonitrile (CID 146699426) is 4-(4,6-dimethylpyrimidin-2-yl)-2-(2-methylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 4-(4,6-dimethylpyrimidin-2-yl)-2-(2-methylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 4-(4,6-dimethylpyrimidin-2-yl)-2-(2-methylcarbazol-9-yl)benzonitrile is Cc1ccc2c3ccccc3n(-c3cc(-c4nc(C)cc(C)n4)ccc3C#N)c2c1.
What is the InChIKey of 4-(4,6-dimethylpyrimidin-2-yl)-2-(2-methylcarbazol-9-yl)benzonitrile?
The InChIKey is QSWNXVXARFOGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4/c1-16-8-11-22-21-6-4-5-7-23(21)30(25(22)12-16)24-14-19(9-10-20(24)15-27)26-28-17(2)13-18(3)29-26/h4-14H,1-3H3.
What are the key properties of 4-(4,6-dimethylpyrimidin-2-yl)-2-(2-methylcarbazol-9-yl)benzonitrile?
4-(4,6-dimethylpyrimidin-2-yl)-2-(2-methylcarbazol-9-yl)benzonitrile has a molecular weight of 388.47 g/mol, XLogP of 6.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethylpyrimidin-2-yl)-2-(2-methylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 146699426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).