[(2-diphenylphosphorylcyclohexyl)-phenylphosphoryl]benzene

C30H30O2P2 — CID 10212677

IUPAC[(2-diphenylphosphorylcyclohexyl)-phenylphosphoryl]benzene
SMILESO=P(c1ccccc1)(c1ccccc1)C1CCCCC1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30O2P2/c31-33(25-15-5-1-6-16-25,26-17-7-2-8-18-26)29-23-13-14-24-30(29)34(32,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29-30H,13-14,23-24H2
InChIKeyVHYJXXNNNCGGMQ-UHFFFAOYSA-N
MW484.52 g/mol
LogP6.33
Rot. Bonds6

About [(2-diphenylphosphorylcyclohexyl)-phenylphosphoryl]benzene

[(2-diphenylphosphorylcyclohexyl)-phenylphosphoryl]benzene (PubChem CID 10212677) has the molecular formula C30H30O2P2 and a molecular weight of 484.52 g/mol. Its IUPAC name is [(2-diphenylphosphorylcyclohexyl)-phenylphosphoryl]benzene.

Molecular Properties

Compound Name[(2-diphenylphosphorylcyclohexyl)-phenylphosphoryl]benzene
PubChem CID10212677
Molecular FormulaC30H30O2P2
Molecular Weight484.52 g/mol
Exact Mass484.17
IUPAC Name[(2-diphenylphosphorylcyclohexyl)-phenylphosphoryl]benzene
SMILESO=P(c1ccccc1)(c1ccccc1)C1CCCCC1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30O2P2/c31-33(25-15-5-1-6-16-25,26-17-7-2-8-18-26)29-23-13-14-24-30(29)34(32,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29-30H,13-14,23-24H2
InChIKeyVHYJXXNNNCGGMQ-UHFFFAOYSA-N
XLogP6.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 56.33
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 [(2-diphenylphosphorylcyclohexyl)-phenylphosphoryl]benzene?
The IUPAC name of [(2-diphenylphosphorylcyclohexyl)-phenylphosphoryl]benzene (CID 10212677) is [(2-diphenylphosphorylcyclohexyl)-phenylphosphoryl]benzene.
What is the SMILES notation for [(2-diphenylphosphorylcyclohexyl)-phenylphosphoryl]benzene?
The canonical SMILES for [(2-diphenylphosphorylcyclohexyl)-phenylphosphoryl]benzene is O=P(c1ccccc1)(c1ccccc1)C1CCCCC1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2-diphenylphosphorylcyclohexyl)-phenylphosphoryl]benzene?
The InChIKey is VHYJXXNNNCGGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O2P2/c31-33(25-15-5-1-6-16-25,26-17-7-2-8-18-26)29-23-13-14-24-30(29)34(32,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29-30H,13-14,23-24H2.
What are the key properties of [(2-diphenylphosphorylcyclohexyl)-phenylphosphoryl]benzene?
[(2-diphenylphosphorylcyclohexyl)-phenylphosphoryl]benzene has a molecular weight of 484.52 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-diphenylphosphorylcyclohexyl)-phenylphosphoryl]benzene is sourced from PubChem (CID 10212677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).