(2-diphenylphosphanyloxycyclopentyl)oxy-diphenylphosphane

C29H28O2P2 — CID 13296400

IUPAC(2-diphenylphosphanyloxycyclopentyl)oxy-diphenylphosphane
SMILESc1ccc(P(OC2CCCC2OP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H28O2P2/c1-5-14-24(15-6-1)32(25-16-7-2-8-17-25)30-28-22-13-23-29(28)31-33(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-12,14-21,28-29H,13,22-23H2
InChIKeyWPMLIRXJYFEBEO-UHFFFAOYSA-N
MW470.49 g/mol
LogP6.04
Rot. Bonds8

About (2-diphenylphosphanyloxycyclopentyl)oxy-diphenylphosphane

(2-diphenylphosphanyloxycyclopentyl)oxy-diphenylphosphane (PubChem CID 13296400) has the molecular formula C29H28O2P2 and a molecular weight of 470.49 g/mol. Its IUPAC name is (2-diphenylphosphanyloxycyclopentyl)oxy-diphenylphosphane.

Molecular Properties

Compound Name(2-diphenylphosphanyloxycyclopentyl)oxy-diphenylphosphane
PubChem CID13296400
Molecular FormulaC29H28O2P2
Molecular Weight470.49 g/mol
Exact Mass470.16
IUPAC Name(2-diphenylphosphanyloxycyclopentyl)oxy-diphenylphosphane
SMILESc1ccc(P(OC2CCCC2OP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H28O2P2/c1-5-14-24(15-6-1)32(25-16-7-2-8-17-25)30-28-22-13-23-29(28)31-33(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-12,14-21,28-29H,13,22-23H2
InChIKeyWPMLIRXJYFEBEO-UHFFFAOYSA-N
XLogP6.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.49
LogP ≤ 56.04
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-diphenylphosphanyloxycyclopentyl)oxy-diphenylphosphane?
The IUPAC name of (2-diphenylphosphanyloxycyclopentyl)oxy-diphenylphosphane (CID 13296400) is (2-diphenylphosphanyloxycyclopentyl)oxy-diphenylphosphane.
What is the SMILES notation for (2-diphenylphosphanyloxycyclopentyl)oxy-diphenylphosphane?
The canonical SMILES for (2-diphenylphosphanyloxycyclopentyl)oxy-diphenylphosphane is c1ccc(P(OC2CCCC2OP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2-diphenylphosphanyloxycyclopentyl)oxy-diphenylphosphane?
The InChIKey is WPMLIRXJYFEBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O2P2/c1-5-14-24(15-6-1)32(25-16-7-2-8-17-25)30-28-22-13-23-29(28)31-33(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-12,14-21,28-29H,13,22-23H2.
What are the key properties of (2-diphenylphosphanyloxycyclopentyl)oxy-diphenylphosphane?
(2-diphenylphosphanyloxycyclopentyl)oxy-diphenylphosphane has a molecular weight of 470.49 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diphenylphosphanyloxycyclopentyl)oxy-diphenylphosphane is sourced from PubChem (CID 13296400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).