[4-(4-fluorobenzoyl)-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]-phenylmethanone

C29H24FNO2 — CID 146162490

IUPAC[4-(4-fluorobenzoyl)-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]-phenylmethanone
SMILESO=C(C1=C(C(=O)c2ccc(F)cc2)C2(CCCCC2)N=C1c1ccccc1)c1ccccc1
InChIInChI=1S/C29H24FNO2/c30-23-16-14-22(15-17-23)28(33)25-24(27(32)21-12-6-2-7-13-21)26(20-10-4-1-5-11-20)31-29(25)18-8-3-9-19-29/h1-2,4-7,10-17H,3,8-9,18-19H2
InChIKeyPITCQGRJEQIYQQ-UHFFFAOYSA-N
MW437.51 g/mol
LogP6.39
Rot. Bonds5

About [4-(4-fluorobenzoyl)-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]-phenylmethanone

[4-(4-fluorobenzoyl)-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]-phenylmethanone (PubChem CID 146162490) has the molecular formula C29H24FNO2 and a molecular weight of 437.51 g/mol. Its IUPAC name is [4-(4-fluorobenzoyl)-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-fluorobenzoyl)-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]-phenylmethanone
PubChem CID146162490
Molecular FormulaC29H24FNO2
Molecular Weight437.51 g/mol
Exact Mass437.18
IUPAC Name[4-(4-fluorobenzoyl)-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]-phenylmethanone
SMILESO=C(C1=C(C(=O)c2ccc(F)cc2)C2(CCCCC2)N=C1c1ccccc1)c1ccccc1
InChIInChI=1S/C29H24FNO2/c30-23-16-14-22(15-17-23)28(33)25-24(27(32)21-12-6-2-7-13-21)26(20-10-4-1-5-11-20)31-29(25)18-8-3-9-19-29/h1-2,4-7,10-17H,3,8-9,18-19H2
InChIKeyPITCQGRJEQIYQQ-UHFFFAOYSA-N
XLogP6.39
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.51
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Chlorophenyl)-[2-(3-fluorophenyl)-4-methyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone
CID 138964804
[2-(3-Fluorophenyl)-4-methyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]-phenylmethanone
CID 138964805
(3,3-Diphenylisoindol-1-yl)-phenylmethanone
CID 10090738
(3-Methyl-3-phenylisoindol-1-yl)-phenylmethanone
CID 10335626
1,1,3-Triphenylisoquinolin-4-one
CID 13525904
1-Methyl-1,3-diphenylisoquinolin-4-one
CID 14570445
N-(Diphenylmethylidene)-4-fluorobenzamide
CID 5170955
(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethanone
CID 6382162
(2E)-2-(Benzylimino)-1,2-diphenylethan-1-one
CID 12943333
2-(6-fluoro-3,3-dimethyl-4H-isoquinolin-1-yl)-1-phenylpropan-1-one
CID 22290558
2-(3-Fluorobenzoyl)-5-phenyl-4-azaspiro[2.4]hept-4-ene-6,7-dione
CID 53908951
2-(3,4-Difluorobenzoyl)-5-phenyl-4-azaspiro[2.4]hept-4-ene-6,7-dione
CID 54439437

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorobenzoyl)-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]-phenylmethanone?
The IUPAC name of [4-(4-fluorobenzoyl)-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]-phenylmethanone (CID 146162490) is [4-(4-fluorobenzoyl)-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]-phenylmethanone.
What is the SMILES notation for [4-(4-fluorobenzoyl)-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]-phenylmethanone?
The canonical SMILES for [4-(4-fluorobenzoyl)-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]-phenylmethanone is O=C(C1=C(C(=O)c2ccc(F)cc2)C2(CCCCC2)N=C1c1ccccc1)c1ccccc1.
What is the InChIKey of [4-(4-fluorobenzoyl)-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]-phenylmethanone?
The InChIKey is PITCQGRJEQIYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FNO2/c30-23-16-14-22(15-17-23)28(33)25-24(27(32)21-12-6-2-7-13-21)26(20-10-4-1-5-11-20)31-29(25)18-8-3-9-19-29/h1-2,4-7,10-17H,3,8-9,18-19H2.
What are the key properties of [4-(4-fluorobenzoyl)-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]-phenylmethanone?
[4-(4-fluorobenzoyl)-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]-phenylmethanone has a molecular weight of 437.51 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorobenzoyl)-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]-phenylmethanone is sourced from PubChem (CID 146162490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).