3,5-diphenyl-4-quinolin-2-ylcyclohexan-1-one

C27H23NO — CID 154146305

IUPAC3,5-diphenyl-4-quinolin-2-ylcyclohexan-1-one
SMILESO=C1CC(c2ccccc2)C(c2ccc3ccccc3n2)C(c2ccccc2)C1
InChIInChI=1S/C27H23NO/c29-22-17-23(19-9-3-1-4-10-19)27(24(18-22)20-11-5-2-6-12-20)26-16-15-21-13-7-8-14-25(21)28-26/h1-16,23-24,27H,17-18H2
InChIKeyYGYFKPHWSDIEHZ-UHFFFAOYSA-N
MW377.49 g/mol
LogP6.25
Rot. Bonds3

About 3,5-diphenyl-4-quinolin-2-ylcyclohexan-1-one

3,5-diphenyl-4-quinolin-2-ylcyclohexan-1-one (PubChem CID 154146305) has the molecular formula C27H23NO and a molecular weight of 377.49 g/mol. Its IUPAC name is 3,5-diphenyl-4-quinolin-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name3,5-diphenyl-4-quinolin-2-ylcyclohexan-1-one
PubChem CID154146305
Molecular FormulaC27H23NO
Molecular Weight377.49 g/mol
Exact Mass377.18
IUPAC Name3,5-diphenyl-4-quinolin-2-ylcyclohexan-1-one
SMILESO=C1CC(c2ccccc2)C(c2ccc3ccccc3n2)C(c2ccccc2)C1
InChIInChI=1S/C27H23NO/c29-22-17-23(19-9-3-1-4-10-19)27(24(18-22)20-11-5-2-6-12-20)26-16-15-21-13-7-8-14-25(21)28-26/h1-16,23-24,27H,17-18H2
InChIKeyYGYFKPHWSDIEHZ-UHFFFAOYSA-N
XLogP6.25
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-4-quinolin-2-ylcyclohexan-1-one?
The IUPAC name of 3,5-diphenyl-4-quinolin-2-ylcyclohexan-1-one (CID 154146305) is 3,5-diphenyl-4-quinolin-2-ylcyclohexan-1-one.
What is the SMILES notation for 3,5-diphenyl-4-quinolin-2-ylcyclohexan-1-one?
The canonical SMILES for 3,5-diphenyl-4-quinolin-2-ylcyclohexan-1-one is O=C1CC(c2ccccc2)C(c2ccc3ccccc3n2)C(c2ccccc2)C1.
What is the InChIKey of 3,5-diphenyl-4-quinolin-2-ylcyclohexan-1-one?
The InChIKey is YGYFKPHWSDIEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO/c29-22-17-23(19-9-3-1-4-10-19)27(24(18-22)20-11-5-2-6-12-20)26-16-15-21-13-7-8-14-25(21)28-26/h1-16,23-24,27H,17-18H2.
What are the key properties of 3,5-diphenyl-4-quinolin-2-ylcyclohexan-1-one?
3,5-diphenyl-4-quinolin-2-ylcyclohexan-1-one has a molecular weight of 377.49 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-4-quinolin-2-ylcyclohexan-1-one is sourced from PubChem (CID 154146305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).