phenyl-[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phenylphosphanylphenyl)phenyl]phosphane

C30H32O6P2 — CID 20730418

IUPACphenyl-[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phenylphosphanylphenyl)phenyl]phosphane
SMILESCOc1cc(Pc2ccccc2)c(-c2c(Pc3ccccc3)cc(OC)c(OC)c2OC)c(OC)c1OC
InChIInChI=1S/C30H32O6P2/c1-31-21-17-23(37-19-13-9-7-10-14-19)25(29(35-5)27(21)33-3)26-24(38-20-15-11-8-12-16-20)18-22(32-2)28(34-4)30(26)36-6/h7-18,37-38H,1-6H3
InChIKeyKIJAGHBJBYDXMP-UHFFFAOYSA-N
MW550.53 g/mol
LogP4.66
Rot. Bonds11

About phenyl-[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phenylphosphanylphenyl)phenyl]phosphane

phenyl-[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phenylphosphanylphenyl)phenyl]phosphane (PubChem CID 20730418) has the molecular formula C30H32O6P2 and a molecular weight of 550.53 g/mol. Its IUPAC name is phenyl-[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phenylphosphanylphenyl)phenyl]phosphane.

Molecular Properties

Compound Namephenyl-[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phenylphosphanylphenyl)phenyl]phosphane
PubChem CID20730418
Molecular FormulaC30H32O6P2
Molecular Weight550.53 g/mol
Exact Mass550.17
IUPAC Namephenyl-[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phenylphosphanylphenyl)phenyl]phosphane
SMILESCOc1cc(Pc2ccccc2)c(-c2c(Pc3ccccc3)cc(OC)c(OC)c2OC)c(OC)c1OC
InChIInChI=1S/C30H32O6P2/c1-31-21-17-23(37-19-13-9-7-10-14-19)25(29(35-5)27(21)33-3)26-24(38-20-15-11-8-12-16-20)18-22(32-2)28(34-4)30(26)36-6/h7-18,37-38H,1-6H3
InChIKeyKIJAGHBJBYDXMP-UHFFFAOYSA-N
XLogP4.66
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.53
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl-[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phenylphosphanylphenyl)phenyl]phosphane?
The IUPAC name of phenyl-[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phenylphosphanylphenyl)phenyl]phosphane (CID 20730418) is phenyl-[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phenylphosphanylphenyl)phenyl]phosphane.
What is the SMILES notation for phenyl-[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phenylphosphanylphenyl)phenyl]phosphane?
The canonical SMILES for phenyl-[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phenylphosphanylphenyl)phenyl]phosphane is COc1cc(Pc2ccccc2)c(-c2c(Pc3ccccc3)cc(OC)c(OC)c2OC)c(OC)c1OC.
What is the InChIKey of phenyl-[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phenylphosphanylphenyl)phenyl]phosphane?
The InChIKey is KIJAGHBJBYDXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32O6P2/c1-31-21-17-23(37-19-13-9-7-10-14-19)25(29(35-5)27(21)33-3)26-24(38-20-15-11-8-12-16-20)18-22(32-2)28(34-4)30(26)36-6/h7-18,37-38H,1-6H3.
What are the key properties of phenyl-[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phenylphosphanylphenyl)phenyl]phosphane?
phenyl-[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phenylphosphanylphenyl)phenyl]phosphane has a molecular weight of 550.53 g/mol, XLogP of 4.66, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phenylphosphanylphenyl)phenyl]phosphane is sourced from PubChem (CID 20730418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).