(2-diphenylphosphoryl-4,5-dimethylphenyl)phosphane

C20H20OP2 — CID 175349711

IUPAC(2-diphenylphosphoryl-4,5-dimethylphenyl)phosphane
SMILESCc1cc(P)c(P(=O)(c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C20H20OP2/c1-15-13-19(22)20(14-16(15)2)23(21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14H,22H2,1-2H3
InChIKeyZNYCTYHHFHQSEC-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.44
Rot. Bonds3

About (2-diphenylphosphoryl-4,5-dimethylphenyl)phosphane

(2-diphenylphosphoryl-4,5-dimethylphenyl)phosphane (PubChem CID 175349711) has the molecular formula C20H20OP2 and a molecular weight of 338.33 g/mol. Its IUPAC name is (2-diphenylphosphoryl-4,5-dimethylphenyl)phosphane.

Molecular Properties

Compound Name(2-diphenylphosphoryl-4,5-dimethylphenyl)phosphane
PubChem CID175349711
Molecular FormulaC20H20OP2
Molecular Weight338.33 g/mol
Exact Mass338.10
IUPAC Name(2-diphenylphosphoryl-4,5-dimethylphenyl)phosphane
SMILESCc1cc(P)c(P(=O)(c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C20H20OP2/c1-15-13-19(22)20(14-16(15)2)23(21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14H,22H2,1-2H3
InChIKeyZNYCTYHHFHQSEC-UHFFFAOYSA-N
XLogP3.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-diphenylphosphoryl-4,5-dimethylphenyl)phosphane?
The IUPAC name of (2-diphenylphosphoryl-4,5-dimethylphenyl)phosphane (CID 175349711) is (2-diphenylphosphoryl-4,5-dimethylphenyl)phosphane.
What is the SMILES notation for (2-diphenylphosphoryl-4,5-dimethylphenyl)phosphane?
The canonical SMILES for (2-diphenylphosphoryl-4,5-dimethylphenyl)phosphane is Cc1cc(P)c(P(=O)(c2ccccc2)c2ccccc2)cc1C.
What is the InChIKey of (2-diphenylphosphoryl-4,5-dimethylphenyl)phosphane?
The InChIKey is ZNYCTYHHFHQSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20OP2/c1-15-13-19(22)20(14-16(15)2)23(21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14H,22H2,1-2H3.
What are the key properties of (2-diphenylphosphoryl-4,5-dimethylphenyl)phosphane?
(2-diphenylphosphoryl-4,5-dimethylphenyl)phosphane has a molecular weight of 338.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diphenylphosphoryl-4,5-dimethylphenyl)phosphane is sourced from PubChem (CID 175349711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).