(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-diphenylphosphane

C31H24O2P2 — CID 18324341

IUPAC(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cc3c(cc2P(c2ccccc2)c2ccccc2)OCO3)cc1
InChIInChI=1S/C31H24O2P2/c1-5-13-24(14-6-1)34(25-15-7-2-8-16-25)30-21-28-29(33-23-32-28)22-31(30)35(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-22H,23H2
InChIKeyUXUZGCZNWVTQOQ-UHFFFAOYSA-N
MW490.48 g/mol
LogP4.93
Rot. Bonds6

About (6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-diphenylphosphane

(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-diphenylphosphane (PubChem CID 18324341) has the molecular formula C31H24O2P2 and a molecular weight of 490.48 g/mol. Its IUPAC name is (6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-diphenylphosphane.

Molecular Properties

Compound Name(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-diphenylphosphane
PubChem CID18324341
Molecular FormulaC31H24O2P2
Molecular Weight490.48 g/mol
Exact Mass490.13
IUPAC Name(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cc3c(cc2P(c2ccccc2)c2ccccc2)OCO3)cc1
InChIInChI=1S/C31H24O2P2/c1-5-13-24(14-6-1)34(25-15-7-2-8-16-25)30-21-28-29(33-23-32-28)22-31(30)35(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-22H,23H2
InChIKeyUXUZGCZNWVTQOQ-UHFFFAOYSA-N
XLogP4.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 54.93
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 (6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-diphenylphosphane?
The IUPAC name of (6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-diphenylphosphane (CID 18324341) is (6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-diphenylphosphane.
What is the SMILES notation for (6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-diphenylphosphane?
The canonical SMILES for (6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-diphenylphosphane is c1ccc(P(c2ccccc2)c2cc3c(cc2P(c2ccccc2)c2ccccc2)OCO3)cc1.
What is the InChIKey of (6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-diphenylphosphane?
The InChIKey is UXUZGCZNWVTQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24O2P2/c1-5-13-24(14-6-1)34(25-15-7-2-8-16-25)30-21-28-29(33-23-32-28)22-31(30)35(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-22H,23H2.
What are the key properties of (6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-diphenylphosphane?
(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-diphenylphosphane has a molecular weight of 490.48 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-diphenylphosphane is sourced from PubChem (CID 18324341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).