3-bis(2,4-dimethoxyphenyl)phosphanylpropyl-bis(2,4-dimethoxyphenyl)phosphane

C35H42O8P2 — CID 54403978

IUPAC3-bis(2,4-dimethoxyphenyl)phosphanylpropyl-bis(2,4-dimethoxyphenyl)phosphane
SMILESCOc1ccc(P(CCCP(c2ccc(OC)cc2OC)c2ccc(OC)cc2OC)c2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C35H42O8P2/c1-36-24-10-14-32(28(20-24)40-5)44(33-15-11-25(37-2)21-29(33)41-6)18-9-19-45(34-16-12-26(38-3)22-30(34)42-7)35-17-13-27(39-4)23-31(35)43-8/h10-17,20-23H,9,18-19H2,1-8H3
InChIKeyVPJKUEQDABDUJU-UHFFFAOYSA-N
MW652.66 g/mol
LogP5.71
Rot. Bonds16

About 3-bis(2,4-dimethoxyphenyl)phosphanylpropyl-bis(2,4-dimethoxyphenyl)phosphane

3-bis(2,4-dimethoxyphenyl)phosphanylpropyl-bis(2,4-dimethoxyphenyl)phosphane (PubChem CID 54403978) has the molecular formula C35H42O8P2 and a molecular weight of 652.66 g/mol. Its IUPAC name is 3-bis(2,4-dimethoxyphenyl)phosphanylpropyl-bis(2,4-dimethoxyphenyl)phosphane.

Molecular Properties

Compound Name3-bis(2,4-dimethoxyphenyl)phosphanylpropyl-bis(2,4-dimethoxyphenyl)phosphane
PubChem CID54403978
Molecular FormulaC35H42O8P2
Molecular Weight652.66 g/mol
Exact Mass652.24
IUPAC Name3-bis(2,4-dimethoxyphenyl)phosphanylpropyl-bis(2,4-dimethoxyphenyl)phosphane
SMILESCOc1ccc(P(CCCP(c2ccc(OC)cc2OC)c2ccc(OC)cc2OC)c2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C35H42O8P2/c1-36-24-10-14-32(28(20-24)40-5)44(33-15-11-25(37-2)21-29(33)41-6)18-9-19-45(34-16-12-26(38-3)22-30(34)42-7)35-17-13-27(39-4)23-31(35)43-8/h10-17,20-23H,9,18-19H2,1-8H3
InChIKeyVPJKUEQDABDUJU-UHFFFAOYSA-N
XLogP5.71
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.66
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-bis(2,4-dimethoxyphenyl)phosphanylpropyl-bis(2,4-dimethoxyphenyl)phosphane?
The IUPAC name of 3-bis(2,4-dimethoxyphenyl)phosphanylpropyl-bis(2,4-dimethoxyphenyl)phosphane (CID 54403978) is 3-bis(2,4-dimethoxyphenyl)phosphanylpropyl-bis(2,4-dimethoxyphenyl)phosphane.
What is the SMILES notation for 3-bis(2,4-dimethoxyphenyl)phosphanylpropyl-bis(2,4-dimethoxyphenyl)phosphane?
The canonical SMILES for 3-bis(2,4-dimethoxyphenyl)phosphanylpropyl-bis(2,4-dimethoxyphenyl)phosphane is COc1ccc(P(CCCP(c2ccc(OC)cc2OC)c2ccc(OC)cc2OC)c2ccc(OC)cc2OC)c(OC)c1.
What is the InChIKey of 3-bis(2,4-dimethoxyphenyl)phosphanylpropyl-bis(2,4-dimethoxyphenyl)phosphane?
The InChIKey is VPJKUEQDABDUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42O8P2/c1-36-24-10-14-32(28(20-24)40-5)44(33-15-11-25(37-2)21-29(33)41-6)18-9-19-45(34-16-12-26(38-3)22-30(34)42-7)35-17-13-27(39-4)23-31(35)43-8/h10-17,20-23H,9,18-19H2,1-8H3.
What are the key properties of 3-bis(2,4-dimethoxyphenyl)phosphanylpropyl-bis(2,4-dimethoxyphenyl)phosphane?
3-bis(2,4-dimethoxyphenyl)phosphanylpropyl-bis(2,4-dimethoxyphenyl)phosphane has a molecular weight of 652.66 g/mol, XLogP of 5.71, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bis(2,4-dimethoxyphenyl)phosphanylpropyl-bis(2,4-dimethoxyphenyl)phosphane is sourced from PubChem (CID 54403978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).