[benzyl-[(E)-2-dibenzylphosphorylethenyl]phosphoryl]methylbenzene

C30H30O2P2 — CID 102513925

IUPAC[benzyl-[(E)-2-dibenzylphosphorylethenyl]phosphoryl]methylbenzene
SMILESO=P(/C=C/P(=O)(Cc1ccccc1)Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H30O2P2/c31-33(23-27-13-5-1-6-14-27,24-28-15-7-2-8-16-28)21-22-34(32,25-29-17-9-3-10-18-29)26-30-19-11-4-12-20-30/h1-22H,23-26H2/b22-21+
InChIKeyXXADEYBCTJQDSJ-QURGRASLSA-N
MW484.52 g/mol
LogP8.98
Rot. Bonds10

About [benzyl-[(E)-2-dibenzylphosphorylethenyl]phosphoryl]methylbenzene

[benzyl-[(E)-2-dibenzylphosphorylethenyl]phosphoryl]methylbenzene (PubChem CID 102513925) has the molecular formula C30H30O2P2 and a molecular weight of 484.52 g/mol. Its IUPAC name is [benzyl-[(E)-2-dibenzylphosphorylethenyl]phosphoryl]methylbenzene.

Molecular Properties

Compound Name[benzyl-[(E)-2-dibenzylphosphorylethenyl]phosphoryl]methylbenzene
PubChem CID102513925
Molecular FormulaC30H30O2P2
Molecular Weight484.52 g/mol
Exact Mass484.17
IUPAC Name[benzyl-[(E)-2-dibenzylphosphorylethenyl]phosphoryl]methylbenzene
SMILESO=P(/C=C/P(=O)(Cc1ccccc1)Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H30O2P2/c31-33(23-27-13-5-1-6-14-27,24-28-15-7-2-8-16-28)21-22-34(32,25-29-17-9-3-10-18-29)26-30-19-11-4-12-20-30/h1-22H,23-26H2/b22-21+
InChIKeyXXADEYBCTJQDSJ-QURGRASLSA-N
XLogP8.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [benzyl-[(E)-2-dibenzylphosphorylethenyl]phosphoryl]methylbenzene?
The IUPAC name of [benzyl-[(E)-2-dibenzylphosphorylethenyl]phosphoryl]methylbenzene (CID 102513925) is [benzyl-[(E)-2-dibenzylphosphorylethenyl]phosphoryl]methylbenzene.
What is the SMILES notation for [benzyl-[(E)-2-dibenzylphosphorylethenyl]phosphoryl]methylbenzene?
The canonical SMILES for [benzyl-[(E)-2-dibenzylphosphorylethenyl]phosphoryl]methylbenzene is O=P(/C=C/P(=O)(Cc1ccccc1)Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [benzyl-[(E)-2-dibenzylphosphorylethenyl]phosphoryl]methylbenzene?
The InChIKey is XXADEYBCTJQDSJ-QURGRASLSA-N. The full InChI is InChI=1S/C30H30O2P2/c31-33(23-27-13-5-1-6-14-27,24-28-15-7-2-8-16-28)21-22-34(32,25-29-17-9-3-10-18-29)26-30-19-11-4-12-20-30/h1-22H,23-26H2/b22-21+.
What are the key properties of [benzyl-[(E)-2-dibenzylphosphorylethenyl]phosphoryl]methylbenzene?
[benzyl-[(E)-2-dibenzylphosphorylethenyl]phosphoryl]methylbenzene has a molecular weight of 484.52 g/mol, XLogP of 8.98, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [benzyl-[(E)-2-dibenzylphosphorylethenyl]phosphoryl]methylbenzene is sourced from PubChem (CID 102513925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).