4-(3-methoxy-6-methylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile

C22H15F3N2O — CID 149290836

IUPAC4-(3-methoxy-6-methylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile
SMILESCOc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#N)cc1C(F)(F)F
InChIInChI=1S/C22H15F3N2O/c1-13-3-6-19-16(9-13)17-11-15(28-2)5-8-20(17)27(19)21-7-4-14(12-26)10-18(21)22(23,24)25/h3-11H,1-2H3
InChIKeyXUUPWVLZQADWNG-UHFFFAOYSA-N
MW380.37 g/mol
LogP5.99
Rot. Bonds2

About 4-(3-methoxy-6-methylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile

4-(3-methoxy-6-methylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile (PubChem CID 149290836) has the molecular formula C22H15F3N2O and a molecular weight of 380.37 g/mol. Its IUPAC name is 4-(3-methoxy-6-methylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(3-methoxy-6-methylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile
PubChem CID149290836
Molecular FormulaC22H15F3N2O
Molecular Weight380.37 g/mol
Exact Mass380.11
IUPAC Name4-(3-methoxy-6-methylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile
SMILESCOc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#N)cc1C(F)(F)F
InChIInChI=1S/C22H15F3N2O/c1-13-3-6-19-16(9-13)17-11-15(28-2)5-8-20(17)27(19)21-7-4-14(12-26)10-18(21)22(23,24)25/h3-11H,1-2H3
InChIKeyXUUPWVLZQADWNG-UHFFFAOYSA-N
XLogP5.99
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-methoxy-6-methylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[2,4-bis(trifluoromethyl)phenyl]-3-methoxy-6-methylcarbazole
CID 159357605
4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-6-(trifluoromethyl)phenyl]benzonitrile
CID 139525951
3-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(3,6-dimethylcarbazol-9-yl)phenyl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 138499140
4-[3,6-bis(triphenyl-λ4-sulfanyl)carbazol-9-yl]-3-(trifluoromethyl)benzonitrile
CID 138645638
2,6-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
CID 153303040
4-[2-isocyano-4,5-bis(3-methylcarbazol-9-yl)phenyl]-3-(trifluoromethyl)benzonitrile
CID 153302842
4-[2-[3-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]-3-(trifluoromethyl)benzonitrile
CID 164744024
4-[4-cyano-2-(trifluoromethyl)phenyl]-2,5-bis(2,7-dimethylcarbazol-9-yl)benzonitrile
CID 153303102
4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(2,7-dimethylcarbazol-9-yl)benzonitrile
CID 142414228
4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]benzonitrile
CID 139526356
3-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 138499848
2,5-bis(3,6-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 161455760

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-6-methylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(3-methoxy-6-methylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile (CID 149290836) is 4-(3-methoxy-6-methylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(3-methoxy-6-methylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(3-methoxy-6-methylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile is COc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#N)cc1C(F)(F)F.
What is the InChIKey of 4-(3-methoxy-6-methylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile?
The InChIKey is XUUPWVLZQADWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O/c1-13-3-6-19-16(9-13)17-11-15(28-2)5-8-20(17)27(19)21-7-4-14(12-26)10-18(21)22(23,24)25/h3-11H,1-2H3.
What are the key properties of 4-(3-methoxy-6-methylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile?
4-(3-methoxy-6-methylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile has a molecular weight of 380.37 g/mol, XLogP of 5.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-6-methylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 149290836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).