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

C29H25NO2 — CID 146162486

IUPAC(4-benzoyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)-phenylmethanone
SMILESO=C(C1=C(C(=O)c2ccccc2)C2(CCCCC2)N=C1c1ccccc1)c1ccccc1
InChIInChI=1S/C29H25NO2/c31-27(22-15-7-2-8-16-22)24-25(28(32)23-17-9-3-10-18-23)29(19-11-4-12-20-29)30-26(24)21-13-5-1-6-14-21/h1-3,5-10,13-18H,4,11-12,19-20H2
InChIKeyJMGHXKMUCGPYFP-UHFFFAOYSA-N
MW419.52 g/mol
LogP6.25
Rot. Bonds5

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

(4-benzoyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)-phenylmethanone (PubChem CID 146162486) has the molecular formula C29H25NO2 and a molecular weight of 419.52 g/mol. Its IUPAC name is (4-benzoyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-benzoyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)-phenylmethanone
PubChem CID146162486
Molecular FormulaC29H25NO2
Molecular Weight419.52 g/mol
Exact Mass419.19
IUPAC Name(4-benzoyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)-phenylmethanone
SMILESO=C(C1=C(C(=O)c2ccccc2)C2(CCCCC2)N=C1c1ccccc1)c1ccccc1
InChIInChI=1S/C29H25NO2/c31-27(22-15-7-2-8-16-22)24-25(28(32)23-17-9-3-10-18-23)29(19-11-4-12-20-29)30-26(24)21-13-5-1-6-14-21/h1-3,5-10,13-18H,4,11-12,19-20H2
InChIKeyJMGHXKMUCGPYFP-UHFFFAOYSA-N
XLogP6.25
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(4-methyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)methanone
CID 138964807
2,3-diphenyl-1,4-diazaspiro[4.4]nona-1,3-diene
CID 757371
disodium;diphenylmethanone
CID 19380838
(1-benzoylcyclooctyl)-phenylmethanone
CID 175521310
2-benzoyl-3-phenylcyclohex-2-en-1-one
CID 102055351
diphenylmethanone
CID 3102
2-benzoyl-3-phenylcyclopent-2-en-1-one
CID 15207511
phenyl-(4-phenylphenyl)methanone
CID 155775877
phenyl-(1-sulfanylcyclohexyl)methanone
CID 151401911
phenyl-(4,4,6-triphenyl-5-oxaspiro[2.4]hept-6-en-7-yl)methanone
CID 102252483
cobalt(2+);diphenylmethanone
CID 19033779
diphenylmethanone;gold
CID 174931146

Frequently Asked Questions

What is the IUPAC name of (4-benzoyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)-phenylmethanone?
The IUPAC name of (4-benzoyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)-phenylmethanone (CID 146162486) is (4-benzoyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)-phenylmethanone.
What is the SMILES notation for (4-benzoyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)-phenylmethanone?
The canonical SMILES for (4-benzoyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)-phenylmethanone is O=C(C1=C(C(=O)c2ccccc2)C2(CCCCC2)N=C1c1ccccc1)c1ccccc1.
What is the InChIKey of (4-benzoyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)-phenylmethanone?
The InChIKey is JMGHXKMUCGPYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO2/c31-27(22-15-7-2-8-16-22)24-25(28(32)23-17-9-3-10-18-23)29(19-11-4-12-20-29)30-26(24)21-13-5-1-6-14-21/h1-3,5-10,13-18H,4,11-12,19-20H2.
What are the key properties of (4-benzoyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)-phenylmethanone?
(4-benzoyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)-phenylmethanone has a molecular weight of 419.52 g/mol, XLogP of 6.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)-phenylmethanone is sourced from PubChem (CID 146162486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).