2-[diphenylphosphanylmethyl(diphenyl)-λ5-phosphanylidene]-1-(4-methylphenyl)ethanone

C34H30OP2 — CID 102314080

IUPAC2-[diphenylphosphanylmethyl(diphenyl)-λ5-phosphanylidene]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)C=P(CP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H30OP2/c1-28-22-24-29(25-23-28)34(35)26-37(32-18-10-4-11-19-32,33-20-12-5-13-21-33)27-36(30-14-6-2-7-15-30)31-16-8-3-9-17-31/h2-26H,27H2,1H3
InChIKeyRFKMBOLPIQPLLN-UHFFFAOYSA-N
MW516.56 g/mol
LogP6.74
Rot. Bonds8

About 2-[diphenylphosphanylmethyl(diphenyl)-λ5-phosphanylidene]-1-(4-methylphenyl)ethanone

2-[diphenylphosphanylmethyl(diphenyl)-λ5-phosphanylidene]-1-(4-methylphenyl)ethanone (PubChem CID 102314080) has the molecular formula C34H30OP2 and a molecular weight of 516.56 g/mol. Its IUPAC name is 2-[diphenylphosphanylmethyl(diphenyl)-λ5-phosphanylidene]-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[diphenylphosphanylmethyl(diphenyl)-λ5-phosphanylidene]-1-(4-methylphenyl)ethanone
PubChem CID102314080
Molecular FormulaC34H30OP2
Molecular Weight516.56 g/mol
Exact Mass516.18
IUPAC Name2-[diphenylphosphanylmethyl(diphenyl)-λ5-phosphanylidene]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)C=P(CP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H30OP2/c1-28-22-24-29(25-23-28)34(35)26-37(32-18-10-4-11-19-32,33-20-12-5-13-21-33)27-36(30-14-6-2-7-15-30)31-16-8-3-9-17-31/h2-26H,27H2,1H3
InChIKeyRFKMBOLPIQPLLN-UHFFFAOYSA-N
XLogP6.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.56
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide
CID 13438783
(2E,4E)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 1236722
(2E,4Z)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 51661966
N-diphenylphosphanyl-4-methylbenzamide
CID 102381455
(Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 5376861
(E)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 21160961
1-(4-aminophenyl)-2-(triphenyl-lambda5-phosphanylidene)ethanone
CID 2784128
benzoic acid;4-methylbenzoic acid
CID 71272637
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
bis(ethyl(diphenyl)phosphane);methylbenzene;1-(4-methylphenyl)ethenol;palladium
CID 134933333
(E)-1-(4-methylphenyl)-5-phenylpent-2-en-1-one
CID 162644983
1-(4-methylphenyl)-4-naphthalen-2-ylbut-2-ene-1,4-dione
CID 139710300

Frequently Asked Questions

What is the IUPAC name of 2-[diphenylphosphanylmethyl(diphenyl)-λ5-phosphanylidene]-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-[diphenylphosphanylmethyl(diphenyl)-λ5-phosphanylidene]-1-(4-methylphenyl)ethanone (CID 102314080) is 2-[diphenylphosphanylmethyl(diphenyl)-λ5-phosphanylidene]-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-[diphenylphosphanylmethyl(diphenyl)-λ5-phosphanylidene]-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-[diphenylphosphanylmethyl(diphenyl)-λ5-phosphanylidene]-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)C=P(CP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[diphenylphosphanylmethyl(diphenyl)-λ5-phosphanylidene]-1-(4-methylphenyl)ethanone?
The InChIKey is RFKMBOLPIQPLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30OP2/c1-28-22-24-29(25-23-28)34(35)26-37(32-18-10-4-11-19-32,33-20-12-5-13-21-33)27-36(30-14-6-2-7-15-30)31-16-8-3-9-17-31/h2-26H,27H2,1H3.
What are the key properties of 2-[diphenylphosphanylmethyl(diphenyl)-λ5-phosphanylidene]-1-(4-methylphenyl)ethanone?
2-[diphenylphosphanylmethyl(diphenyl)-λ5-phosphanylidene]-1-(4-methylphenyl)ethanone has a molecular weight of 516.56 g/mol, XLogP of 6.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diphenylphosphanylmethyl(diphenyl)-λ5-phosphanylidene]-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 102314080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).