tris(4-diethoxyphosphorylphenyl)phosphane

C30H42O9P4 — CID 10675951

IUPACtris(4-diethoxyphosphorylphenyl)phosphane
SMILESCCOP(=O)(OCC)c1ccc(P(c2ccc(P(=O)(OCC)OCC)cc2)c2ccc(P(=O)(OCC)OCC)cc2)cc1
InChIInChI=1S/C30H42O9P4/c1-7-34-41(31,35-8-2)28-19-13-25(14-20-28)40(26-15-21-29(22-16-26)42(32,36-9-3)37-10-4)27-17-23-30(24-18-27)43(33,38-11-5)39-12-6/h13-24H,7-12H2,1-6H3
InChIKeyCQXNJYQVALIETR-UHFFFAOYSA-N
MW670.55 g/mol
LogP6.12
Rot. Bonds18

About tris(4-diethoxyphosphorylphenyl)phosphane

tris(4-diethoxyphosphorylphenyl)phosphane (PubChem CID 10675951) has the molecular formula C30H42O9P4 and a molecular weight of 670.55 g/mol. Its IUPAC name is tris(4-diethoxyphosphorylphenyl)phosphane.

Molecular Properties

Compound Nametris(4-diethoxyphosphorylphenyl)phosphane
PubChem CID10675951
Molecular FormulaC30H42O9P4
Molecular Weight670.55 g/mol
Exact Mass670.18
IUPAC Nametris(4-diethoxyphosphorylphenyl)phosphane
SMILESCCOP(=O)(OCC)c1ccc(P(c2ccc(P(=O)(OCC)OCC)cc2)c2ccc(P(=O)(OCC)OCC)cc2)cc1
InChIInChI=1S/C30H42O9P4/c1-7-34-41(31,35-8-2)28-19-13-25(14-20-28)40(26-15-21-29(22-16-26)42(32,36-9-3)37-10-4)27-17-23-30(24-18-27)43(33,38-11-5)39-12-6/h13-24H,7-12H2,1-6H3
InChIKeyCQXNJYQVALIETR-UHFFFAOYSA-N
XLogP6.12
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.55
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
4-diethoxyphosphoryl-N-ethylaniline
CID 23415640
4-diethoxyphosphorylbenzonitrile
CID 3613497
4-diethoxyphosphoryl-1,2-dimethylbenzene
CID 10966692
2-(4-diethoxyphosphorylphenyl)acetic acid
CID 87462218
2-(4-diethoxyphosphorylphenyl)-1,3-dioxolane
CID 2773704
5-diethoxyphosphoryl-2-(5-diethoxyphosphoryl-2-pyridinyl)pyridine
CID 53249416
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
(4-diethoxyphosphorylphenyl)-(4-methoxyphenyl)methanamine
CID 89463039
6-diethoxyphosphorylnaphthalen-2-ol
CID 10492986
1-bromo-2-chloro-4-diethoxyphosphorylbenzene
CID 166609988

Frequently Asked Questions

What is the IUPAC name of tris(4-diethoxyphosphorylphenyl)phosphane?
The IUPAC name of tris(4-diethoxyphosphorylphenyl)phosphane (CID 10675951) is tris(4-diethoxyphosphorylphenyl)phosphane.
What is the SMILES notation for tris(4-diethoxyphosphorylphenyl)phosphane?
The canonical SMILES for tris(4-diethoxyphosphorylphenyl)phosphane is CCOP(=O)(OCC)c1ccc(P(c2ccc(P(=O)(OCC)OCC)cc2)c2ccc(P(=O)(OCC)OCC)cc2)cc1.
What is the InChIKey of tris(4-diethoxyphosphorylphenyl)phosphane?
The InChIKey is CQXNJYQVALIETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42O9P4/c1-7-34-41(31,35-8-2)28-19-13-25(14-20-28)40(26-15-21-29(22-16-26)42(32,36-9-3)37-10-4)27-17-23-30(24-18-27)43(33,38-11-5)39-12-6/h13-24H,7-12H2,1-6H3.
What are the key properties of tris(4-diethoxyphosphorylphenyl)phosphane?
tris(4-diethoxyphosphorylphenyl)phosphane has a molecular weight of 670.55 g/mol, XLogP of 6.12, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-diethoxyphosphorylphenyl)phosphane is sourced from PubChem (CID 10675951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).