1-[4-[(1-oxo-1,3-diphenylphosphindol-2-yl)methyl]phenyl]ethanone

C29H23O2P — CID 132600999

IUPAC1-[4-[(1-oxo-1,3-diphenylphosphindol-2-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CC2=C(c3ccccc3)c3ccccc3P2(=O)c2ccccc2)cc1
InChIInChI=1S/C29H23O2P/c1-21(30)23-18-16-22(17-19-23)20-28-29(24-10-4-2-5-11-24)26-14-8-9-15-27(26)32(28,31)25-12-6-3-7-13-25/h2-19H,20H2,1H3
InChIKeyGVRYOLZWKGHPMF-UHFFFAOYSA-N
MW434.48 g/mol
LogP6.22
Rot. Bonds5

About 1-[4-[(1-oxo-1,3-diphenylphosphindol-2-yl)methyl]phenyl]ethanone

1-[4-[(1-oxo-1,3-diphenylphosphindol-2-yl)methyl]phenyl]ethanone (PubChem CID 132600999) has the molecular formula C29H23O2P and a molecular weight of 434.48 g/mol. Its IUPAC name is 1-[4-[(1-oxo-1,3-diphenylphosphindol-2-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(1-oxo-1,3-diphenylphosphindol-2-yl)methyl]phenyl]ethanone
PubChem CID132600999
Molecular FormulaC29H23O2P
Molecular Weight434.48 g/mol
Exact Mass434.14
IUPAC Name1-[4-[(1-oxo-1,3-diphenylphosphindol-2-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CC2=C(c3ccccc3)c3ccccc3P2(=O)c2ccccc2)cc1
InChIInChI=1S/C29H23O2P/c1-21(30)23-18-16-22(17-19-23)20-28-29(24-10-4-2-5-11-24)26-14-8-9-15-27(26)32(28,31)25-12-6-3-7-13-25/h2-19H,20H2,1H3
InChIKeyGVRYOLZWKGHPMF-UHFFFAOYSA-N
XLogP6.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.48
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[(3,5-dimethylphenyl)methyl]-1,3-diphenylphosphindole 1-oxide
CID 132600992
1-(5-oxo-5-phenylbenzo[b]phosphindol-3-yl)ethanone
CID 102218136
1-[4-(4-benzylphenyl)phenyl]ethanone
CID 67858865
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone
CID 101265569
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371
acetic acid;4-acetylbenzoic acid;4-[(4-carboxyphenyl)methyl]benzoic acid;methane;naphthalene
CID 157146063
1,1'-biphenyl;ethane;bis(1-phenylethanone)
CID 90714339
1-[4-[[2-[(4-acetylphenyl)methyl]phenyl]methyl]phenyl]propan-2-one
CID 142235014
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
2-methylpropylbenzene;1-[4-(2-methylpropyl)phenyl]ethanone
CID 23168110

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-oxo-1,3-diphenylphosphindol-2-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(1-oxo-1,3-diphenylphosphindol-2-yl)methyl]phenyl]ethanone (CID 132600999) is 1-[4-[(1-oxo-1,3-diphenylphosphindol-2-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(1-oxo-1,3-diphenylphosphindol-2-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(1-oxo-1,3-diphenylphosphindol-2-yl)methyl]phenyl]ethanone is CC(=O)c1ccc(CC2=C(c3ccccc3)c3ccccc3P2(=O)c2ccccc2)cc1.
What is the InChIKey of 1-[4-[(1-oxo-1,3-diphenylphosphindol-2-yl)methyl]phenyl]ethanone?
The InChIKey is GVRYOLZWKGHPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23O2P/c1-21(30)23-18-16-22(17-19-23)20-28-29(24-10-4-2-5-11-24)26-14-8-9-15-27(26)32(28,31)25-12-6-3-7-13-25/h2-19H,20H2,1H3.
What are the key properties of 1-[4-[(1-oxo-1,3-diphenylphosphindol-2-yl)methyl]phenyl]ethanone?
1-[4-[(1-oxo-1,3-diphenylphosphindol-2-yl)methyl]phenyl]ethanone has a molecular weight of 434.48 g/mol, XLogP of 6.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-oxo-1,3-diphenylphosphindol-2-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 132600999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).