6-diphenylphosphanyloxyhexoxy(diphenyl)phosphane

C30H32O2P2 — CID 134879943

IUPAC6-diphenylphosphanyloxyhexoxy(diphenyl)phosphane
SMILESc1ccc(P(OCCCCCCOP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H32O2P2/c1(15-25-31-33(27-17-7-3-8-18-27)28-19-9-4-10-20-28)2-16-26-32-34(29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-14,17-24H,1-2,15-16,25-26H2
InChIKeyJQXAEDVRYXZTBL-UHFFFAOYSA-N
MW486.53 g/mol
LogP6.68
Rot. Bonds13

About 6-diphenylphosphanyloxyhexoxy(diphenyl)phosphane

6-diphenylphosphanyloxyhexoxy(diphenyl)phosphane (PubChem CID 134879943) has the molecular formula C30H32O2P2 and a molecular weight of 486.53 g/mol. Its IUPAC name is 6-diphenylphosphanyloxyhexoxy(diphenyl)phosphane.

Molecular Properties

Compound Name6-diphenylphosphanyloxyhexoxy(diphenyl)phosphane
PubChem CID134879943
Molecular FormulaC30H32O2P2
Molecular Weight486.53 g/mol
Exact Mass486.19
IUPAC Name6-diphenylphosphanyloxyhexoxy(diphenyl)phosphane
SMILESc1ccc(P(OCCCCCCOP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H32O2P2/c1(15-25-31-33(27-17-7-3-8-18-27)28-19-9-4-10-20-28)2-16-26-32-34(29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-14,17-24H,1-2,15-16,25-26H2
InChIKeyJQXAEDVRYXZTBL-UHFFFAOYSA-N
XLogP6.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.53
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 6-diphenylphosphanyloxyhexoxy(diphenyl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-diphenylphosphanyloxyhexoxy(diphenyl)phosphane?
The IUPAC name of 6-diphenylphosphanyloxyhexoxy(diphenyl)phosphane (CID 134879943) is 6-diphenylphosphanyloxyhexoxy(diphenyl)phosphane.
What is the SMILES notation for 6-diphenylphosphanyloxyhexoxy(diphenyl)phosphane?
The canonical SMILES for 6-diphenylphosphanyloxyhexoxy(diphenyl)phosphane is c1ccc(P(OCCCCCCOP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 6-diphenylphosphanyloxyhexoxy(diphenyl)phosphane?
The InChIKey is JQXAEDVRYXZTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32O2P2/c1(15-25-31-33(27-17-7-3-8-18-27)28-19-9-4-10-20-28)2-16-26-32-34(29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-14,17-24H,1-2,15-16,25-26H2.
What are the key properties of 6-diphenylphosphanyloxyhexoxy(diphenyl)phosphane?
6-diphenylphosphanyloxyhexoxy(diphenyl)phosphane has a molecular weight of 486.53 g/mol, XLogP of 6.68, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diphenylphosphanyloxyhexoxy(diphenyl)phosphane is sourced from PubChem (CID 134879943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).