phenyl-(4,4,6-triphenyl-5-oxaspiro[2.4]hept-6-en-7-yl)methanone

C31H24O2 — CID 102252483

IUPACphenyl-(4,4,6-triphenyl-5-oxaspiro[2.4]hept-6-en-7-yl)methanone
SMILESO=C(C1=C(c2ccccc2)OC(c2ccccc2)(c2ccccc2)C12CC2)c1ccccc1
InChIInChI=1S/C31H24O2/c32-28(23-13-5-1-6-14-23)27-29(24-15-7-2-8-16-24)33-31(30(27)21-22-30,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2
InChIKeyDVJKJDISYXMNJS-UHFFFAOYSA-N
MW428.53 g/mol
LogP7.03
Rot. Bonds5

About phenyl-(4,4,6-triphenyl-5-oxaspiro[2.4]hept-6-en-7-yl)methanone

phenyl-(4,4,6-triphenyl-5-oxaspiro[2.4]hept-6-en-7-yl)methanone (PubChem CID 102252483) has the molecular formula C31H24O2 and a molecular weight of 428.53 g/mol. Its IUPAC name is phenyl-(4,4,6-triphenyl-5-oxaspiro[2.4]hept-6-en-7-yl)methanone.

Molecular Properties

Compound Namephenyl-(4,4,6-triphenyl-5-oxaspiro[2.4]hept-6-en-7-yl)methanone
PubChem CID102252483
Molecular FormulaC31H24O2
Molecular Weight428.53 g/mol
Exact Mass428.18
IUPAC Namephenyl-(4,4,6-triphenyl-5-oxaspiro[2.4]hept-6-en-7-yl)methanone
SMILESO=C(C1=C(c2ccccc2)OC(c2ccccc2)(c2ccccc2)C12CC2)c1ccccc1
InChIInChI=1S/C31H24O2/c32-28(23-13-5-1-6-14-23)27-29(24-15-7-2-8-16-24)33-31(30(27)21-22-30,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2
InChIKeyDVJKJDISYXMNJS-UHFFFAOYSA-N
XLogP7.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-dimethyl-2,3a,5,6a-tetraphenylfuro[3,2-b]furan
CID 15650118
disodium;diphenylmethanone
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CID 54288877
diphenylmethanone
CID 3102
[(2R)-2-methyl-3,3-diphenyloxiran-2-yl]-phenylmethanone
CID 100931886
(2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone
CID 15402871
phenyl-(4-phenylphenyl)methanone
CID 155775877
(2-methylidene-5-phenyl-3H-furan-4-yl)-phenylmethanone
CID 10467875
4-benzoyl-5-phenyl(2,3-13C2)furan-2,3-dione
CID 11680721
(3E)-4-benzoyl-3-(4-benzoyl-2-oxo-5-phenylfuran-3-ylidene)-5-phenylfuran-2-one
CID 9498278
diphenylmethanone;gold
CID 174931146
cobalt(2+);diphenylmethanone
CID 19033779

Frequently Asked Questions

What is the IUPAC name of phenyl-(4,4,6-triphenyl-5-oxaspiro[2.4]hept-6-en-7-yl)methanone?
The IUPAC name of phenyl-(4,4,6-triphenyl-5-oxaspiro[2.4]hept-6-en-7-yl)methanone (CID 102252483) is phenyl-(4,4,6-triphenyl-5-oxaspiro[2.4]hept-6-en-7-yl)methanone.
What is the SMILES notation for phenyl-(4,4,6-triphenyl-5-oxaspiro[2.4]hept-6-en-7-yl)methanone?
The canonical SMILES for phenyl-(4,4,6-triphenyl-5-oxaspiro[2.4]hept-6-en-7-yl)methanone is O=C(C1=C(c2ccccc2)OC(c2ccccc2)(c2ccccc2)C12CC2)c1ccccc1.
What is the InChIKey of phenyl-(4,4,6-triphenyl-5-oxaspiro[2.4]hept-6-en-7-yl)methanone?
The InChIKey is DVJKJDISYXMNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24O2/c32-28(23-13-5-1-6-14-23)27-29(24-15-7-2-8-16-24)33-31(30(27)21-22-30,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2.
What are the key properties of phenyl-(4,4,6-triphenyl-5-oxaspiro[2.4]hept-6-en-7-yl)methanone?
phenyl-(4,4,6-triphenyl-5-oxaspiro[2.4]hept-6-en-7-yl)methanone has a molecular weight of 428.53 g/mol, XLogP of 7.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4,4,6-triphenyl-5-oxaspiro[2.4]hept-6-en-7-yl)methanone is sourced from PubChem (CID 102252483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).