(5-benzoyl-2,6-dimethyl-4-phenyl-3,4-dihydropyridin-3-yl)-phenylmethanone

C27H23NO2 — CID 74692587

IUPAC(5-benzoyl-2,6-dimethyl-4-phenyl-3,4-dihydropyridin-3-yl)-phenylmethanone
SMILESCC1=NC(C)=C(C(=O)c2ccccc2)C(c2ccccc2)C1C(=O)c1ccccc1
InChIInChI=1S/C27H23NO2/c1-18-23(26(29)21-14-8-4-9-15-21)25(20-12-6-3-7-13-20)24(19(2)28-18)27(30)22-16-10-5-11-17-22/h3-17,23,25H,1-2H3
InChIKeyFNTAGKPPKCPSPQ-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.90
Rot. Bonds5

About (5-benzoyl-2,6-dimethyl-4-phenyl-3,4-dihydropyridin-3-yl)-phenylmethanone

(5-benzoyl-2,6-dimethyl-4-phenyl-3,4-dihydropyridin-3-yl)-phenylmethanone (PubChem CID 74692587) has the molecular formula C27H23NO2 and a molecular weight of 393.49 g/mol. Its IUPAC name is (5-benzoyl-2,6-dimethyl-4-phenyl-3,4-dihydropyridin-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-benzoyl-2,6-dimethyl-4-phenyl-3,4-dihydropyridin-3-yl)-phenylmethanone
PubChem CID74692587
Molecular FormulaC27H23NO2
Molecular Weight393.49 g/mol
Exact Mass393.17
IUPAC Name(5-benzoyl-2,6-dimethyl-4-phenyl-3,4-dihydropyridin-3-yl)-phenylmethanone
SMILESCC1=NC(C)=C(C(=O)c2ccccc2)C(c2ccccc2)C1C(=O)c1ccccc1
InChIInChI=1S/C27H23NO2/c1-18-23(26(29)21-14-8-4-9-15-21)25(20-12-6-3-7-13-20)24(19(2)28-18)27(30)22-16-10-5-11-17-22/h3-17,23,25H,1-2H3
InChIKeyFNTAGKPPKCPSPQ-UHFFFAOYSA-N
XLogP5.90
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-Phenyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
CID 2856914
2-Methyl-4-methylidene-1,3,5-triphenylpentane-1,5-dione
CID 3596513
2-Methyl-1,3,5-triphenyl-1,5-pentanedione
CID 4384195
2-Cyclopentyl-3-(4-fluorobenzoyl)-4-(4-fluorophenyl)-7,7-dimethyl-4,4a,6,8-tetrahydroquinolin-5-one
CID 54043277
9-(3-Fluorophenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione
CID 54488598
2-Cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-3-[4-(trifluoromethyl)benzoyl]-4,4a,6,8-tetrahydroquinolin-5-one
CID 54500229
2-Cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-3-[2-(trifluoromethyl)benzoyl]-4,4a,6,8-tetrahydroquinolin-5-one
CID 57227122
4-(4-Fluorophenyl)-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]spiro[4,4a,6,8-tetrahydroquinoline-7,1'-cyclobutane]-5-one
CID 90757408
4-Cyclohexyl-7,7-dimethyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-4,4a,6,8-tetrahydroquinolin-5-one
CID 91014905
4-Cyclopentyl-7,7-dimethyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-4,4a,6,8-tetrahydroquinolin-5-one
CID 91093232
4-Phenyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]spiro[4,4a,6,8-tetrahydroquinoline-7,1'-cyclobutane]-5-one
CID 91186894
2-Cyclopentyl-4-phenyl-3-[4-(trifluoromethyl)benzoyl]spiro[4,4a,6,8-tetrahydroquinoline-7,1'-cyclobutane]-5-one
CID 91282032

Frequently Asked Questions

What is the IUPAC name of (5-benzoyl-2,6-dimethyl-4-phenyl-3,4-dihydropyridin-3-yl)-phenylmethanone?
The IUPAC name of (5-benzoyl-2,6-dimethyl-4-phenyl-3,4-dihydropyridin-3-yl)-phenylmethanone (CID 74692587) is (5-benzoyl-2,6-dimethyl-4-phenyl-3,4-dihydropyridin-3-yl)-phenylmethanone.
What is the SMILES notation for (5-benzoyl-2,6-dimethyl-4-phenyl-3,4-dihydropyridin-3-yl)-phenylmethanone?
The canonical SMILES for (5-benzoyl-2,6-dimethyl-4-phenyl-3,4-dihydropyridin-3-yl)-phenylmethanone is CC1=NC(C)=C(C(=O)c2ccccc2)C(c2ccccc2)C1C(=O)c1ccccc1.
What is the InChIKey of (5-benzoyl-2,6-dimethyl-4-phenyl-3,4-dihydropyridin-3-yl)-phenylmethanone?
The InChIKey is FNTAGKPPKCPSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO2/c1-18-23(26(29)21-14-8-4-9-15-21)25(20-12-6-3-7-13-20)24(19(2)28-18)27(30)22-16-10-5-11-17-22/h3-17,23,25H,1-2H3.
What are the key properties of (5-benzoyl-2,6-dimethyl-4-phenyl-3,4-dihydropyridin-3-yl)-phenylmethanone?
(5-benzoyl-2,6-dimethyl-4-phenyl-3,4-dihydropyridin-3-yl)-phenylmethanone has a molecular weight of 393.49 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzoyl-2,6-dimethyl-4-phenyl-3,4-dihydropyridin-3-yl)-phenylmethanone is sourced from PubChem (CID 74692587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).