1-phenyl-1-(triphenyl-λ5-phosphanylidene)propan-2-one

C27H23OP — CID 11132996

IUPAC1-phenyl-1-(triphenyl-λ5-phosphanylidene)propan-2-one
SMILESCC(=O)C(c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H23OP/c1-22(28)27(23-14-6-2-7-15-23)29(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21H,1H3
InChIKeyDGBCOJKSVMQZPP-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.79
Rot. Bonds5

About 1-phenyl-1-(triphenyl-λ5-phosphanylidene)propan-2-one

1-phenyl-1-(triphenyl-λ5-phosphanylidene)propan-2-one (PubChem CID 11132996) has the molecular formula C27H23OP and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-phenyl-1-(triphenyl-λ5-phosphanylidene)propan-2-one.

Molecular Properties

Compound Name1-phenyl-1-(triphenyl-λ5-phosphanylidene)propan-2-one
PubChem CID11132996
Molecular FormulaC27H23OP
Molecular Weight394.45 g/mol
Exact Mass394.15
IUPAC Name1-phenyl-1-(triphenyl-λ5-phosphanylidene)propan-2-one
SMILESCC(=O)C(c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H23OP/c1-22(28)27(23-14-6-2-7-15-23)29(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21H,1H3
InChIKeyDGBCOJKSVMQZPP-UHFFFAOYSA-N
XLogP4.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-(triphenyl-λ5-phosphanylidene)propan-2-one?
The IUPAC name of 1-phenyl-1-(triphenyl-λ5-phosphanylidene)propan-2-one (CID 11132996) is 1-phenyl-1-(triphenyl-λ5-phosphanylidene)propan-2-one.
What is the SMILES notation for 1-phenyl-1-(triphenyl-λ5-phosphanylidene)propan-2-one?
The canonical SMILES for 1-phenyl-1-(triphenyl-λ5-phosphanylidene)propan-2-one is CC(=O)C(c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-1-(triphenyl-λ5-phosphanylidene)propan-2-one?
The InChIKey is DGBCOJKSVMQZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23OP/c1-22(28)27(23-14-6-2-7-15-23)29(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21H,1H3.
What are the key properties of 1-phenyl-1-(triphenyl-λ5-phosphanylidene)propan-2-one?
1-phenyl-1-(triphenyl-λ5-phosphanylidene)propan-2-one has a molecular weight of 394.45 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-(triphenyl-λ5-phosphanylidene)propan-2-one is sourced from PubChem (CID 11132996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).