(3-diphenylphosphanyloxy-1,3-diphenylpropoxy)-diphenylphosphane

C39H34O2P2 — CID 102501580

IUPAC(3-diphenylphosphanyloxy-1,3-diphenylpropoxy)-diphenylphosphane
SMILESc1ccc(C(CC(OP(c2ccccc2)c2ccccc2)c2ccccc2)OP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H34O2P2/c1-7-19-32(20-8-1)38(40-42(34-23-11-3-12-24-34)35-25-13-4-14-26-35)31-39(33-21-9-2-10-22-33)41-43(36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-30,38-39H,31H2
InChIKeyULWMCYAIVDJOFL-UHFFFAOYSA-N
MW596.65 g/mol
LogP8.99
Rot. Bonds12

About (3-diphenylphosphanyloxy-1,3-diphenylpropoxy)-diphenylphosphane

(3-diphenylphosphanyloxy-1,3-diphenylpropoxy)-diphenylphosphane (PubChem CID 102501580) has the molecular formula C39H34O2P2 and a molecular weight of 596.65 g/mol. Its IUPAC name is (3-diphenylphosphanyloxy-1,3-diphenylpropoxy)-diphenylphosphane.

Molecular Properties

Compound Name(3-diphenylphosphanyloxy-1,3-diphenylpropoxy)-diphenylphosphane
PubChem CID102501580
Molecular FormulaC39H34O2P2
Molecular Weight596.65 g/mol
Exact Mass596.20
IUPAC Name(3-diphenylphosphanyloxy-1,3-diphenylpropoxy)-diphenylphosphane
SMILESc1ccc(C(CC(OP(c2ccccc2)c2ccccc2)c2ccccc2)OP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H34O2P2/c1-7-19-32(20-8-1)38(40-42(34-23-11-3-12-24-34)35-25-13-4-14-26-35)31-39(33-21-9-2-10-22-33)41-43(36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-30,38-39H,31H2
InChIKeyULWMCYAIVDJOFL-UHFFFAOYSA-N
XLogP8.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.65
LogP ≤ 58.99
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 (3-diphenylphosphanyloxy-1,3-diphenylpropoxy)-diphenylphosphane?
The IUPAC name of (3-diphenylphosphanyloxy-1,3-diphenylpropoxy)-diphenylphosphane (CID 102501580) is (3-diphenylphosphanyloxy-1,3-diphenylpropoxy)-diphenylphosphane.
What is the SMILES notation for (3-diphenylphosphanyloxy-1,3-diphenylpropoxy)-diphenylphosphane?
The canonical SMILES for (3-diphenylphosphanyloxy-1,3-diphenylpropoxy)-diphenylphosphane is c1ccc(C(CC(OP(c2ccccc2)c2ccccc2)c2ccccc2)OP(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (3-diphenylphosphanyloxy-1,3-diphenylpropoxy)-diphenylphosphane?
The InChIKey is ULWMCYAIVDJOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34O2P2/c1-7-19-32(20-8-1)38(40-42(34-23-11-3-12-24-34)35-25-13-4-14-26-35)31-39(33-21-9-2-10-22-33)41-43(36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-30,38-39H,31H2.
What are the key properties of (3-diphenylphosphanyloxy-1,3-diphenylpropoxy)-diphenylphosphane?
(3-diphenylphosphanyloxy-1,3-diphenylpropoxy)-diphenylphosphane has a molecular weight of 596.65 g/mol, XLogP of 8.99, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-diphenylphosphanyloxy-1,3-diphenylpropoxy)-diphenylphosphane is sourced from PubChem (CID 102501580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).