4-(9,9-dimethylacridin-10-yl)-3-(trifluoromethyl)benzonitrile

C23H17F3N2 — CID 134169769

IUPAC4-(9,9-dimethylacridin-10-yl)-3-(trifluoromethyl)benzonitrile
SMILESCC1(C)c2ccccc2N(c2ccc(C#N)cc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C23H17F3N2/c1-22(2)16-7-3-5-9-19(16)28(20-10-6-4-8-17(20)22)21-12-11-15(14-27)13-18(21)23(24,25)26/h3-13H,1-2H3
InChIKeyWHTNPHUJELLCDL-UHFFFAOYSA-N
MW378.40 g/mol
LogP6.69
Rot. Bonds1

About 4-(9,9-dimethylacridin-10-yl)-3-(trifluoromethyl)benzonitrile

4-(9,9-dimethylacridin-10-yl)-3-(trifluoromethyl)benzonitrile (PubChem CID 134169769) has the molecular formula C23H17F3N2 and a molecular weight of 378.40 g/mol. Its IUPAC name is 4-(9,9-dimethylacridin-10-yl)-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(9,9-dimethylacridin-10-yl)-3-(trifluoromethyl)benzonitrile
PubChem CID134169769
Molecular FormulaC23H17F3N2
Molecular Weight378.40 g/mol
Exact Mass378.13
IUPAC Name4-(9,9-dimethylacridin-10-yl)-3-(trifluoromethyl)benzonitrile
SMILESCC1(C)c2ccccc2N(c2ccc(C#N)cc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C23H17F3N2/c1-22(2)16-7-3-5-9-19(16)28(20-10-6-4-8-17(20)22)21-12-11-15(14-27)13-18(21)23(24,25)26/h3-13H,1-2H3
InChIKeyWHTNPHUJELLCDL-UHFFFAOYSA-N
XLogP6.69
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.40
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylacridin-10-yl)-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(9,9-dimethylacridin-10-yl)-3-(trifluoromethyl)benzonitrile (CID 134169769) is 4-(9,9-dimethylacridin-10-yl)-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(9,9-dimethylacridin-10-yl)-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(9,9-dimethylacridin-10-yl)-3-(trifluoromethyl)benzonitrile is CC1(C)c2ccccc2N(c2ccc(C#N)cc2C(F)(F)F)c2ccccc21.
What is the InChIKey of 4-(9,9-dimethylacridin-10-yl)-3-(trifluoromethyl)benzonitrile?
The InChIKey is WHTNPHUJELLCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2/c1-22(2)16-7-3-5-9-19(16)28(20-10-6-4-8-17(20)22)21-12-11-15(14-27)13-18(21)23(24,25)26/h3-13H,1-2H3.
What are the key properties of 4-(9,9-dimethylacridin-10-yl)-3-(trifluoromethyl)benzonitrile?
4-(9,9-dimethylacridin-10-yl)-3-(trifluoromethyl)benzonitrile has a molecular weight of 378.40 g/mol, XLogP of 6.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylacridin-10-yl)-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 134169769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).