[2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;ruthenium(2+);diacetate

C42H40O6P2Ru+2 — CID 171371490

IUPAC[2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;ruthenium(2+);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].COc1cccc([PH+](c2ccccc2)c2ccccc2)c1-c1c(OC)cccc1[PH+](c1ccccc1)c1ccccc1.[Ru+2]
InChIInChI=1S/C38H32O2P2.2C2H4O2.Ru/c1-39-33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)38-34(40-2)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;2*1-2(3)4;/h3-28H,1-2H3;2*1H3,(H,3,4);/q;;;+2
InChIKeyUKUGFDXXBDLOIC-UHFFFAOYSA-N
MW803.79 g/mol
LogP3.86
Rot. Bonds9

About [2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;ruthenium(2+);diacetate

[2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;ruthenium(2+);diacetate (PubChem CID 171371490) has the molecular formula C42H40O6P2Ru+2 and a molecular weight of 803.79 g/mol. Its IUPAC name is [2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;ruthenium(2+);diacetate.

Molecular Properties

Compound Name[2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;ruthenium(2+);diacetate
PubChem CID171371490
Molecular FormulaC42H40O6P2Ru+2
Molecular Weight803.79 g/mol
Exact Mass804.13
IUPAC Name[2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;ruthenium(2+);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].COc1cccc([PH+](c2ccccc2)c2ccccc2)c1-c1c(OC)cccc1[PH+](c1ccccc1)c1ccccc1.[Ru+2]
InChIInChI=1S/C38H32O2P2.2C2H4O2.Ru/c1-39-33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)38-34(40-2)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;2*1-2(3)4;/h3-28H,1-2H3;2*1H3,(H,3,4);/q;;;+2
InChIKeyUKUGFDXXBDLOIC-UHFFFAOYSA-N
XLogP3.86
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500803.79
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;ruthenium(2+);diacetate with MolForge

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

Launch Full Analysis

Related Compounds

(S)-(-)-2,2'-Bis(diphenylphosphino)-6,6'-dimethoxy-1,1'-biphenyl
CID 4246603
(6,6'-Dimethoxy-2,2'-biphenyldiyl)bis(bis(3,5-bis(2-methyl-2-propanyl)phenyl)phosphine)
CID 10964351
(6,6'-Dimethoxy-2,2'-biphenyldiyl)bis[bis(3,5-dimethylphenyl)phosphine]
CID 11227787
(R)-4,12-Bis(4-methoxyphenyl)-[2.2]-paracyclophane R-An-Phanephos
CID 59762669
(S)-(+)-2,2'-Bis[di(3,5-di-t-butyl-4-methoxyphenyl)phosphino]-6,6'-dimethoxy-1,1'-biphenyl
CID 11378383
[2-[2-Bis(3,4,5-trifluorophenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,4,5-trifluorophenyl)phosphane
CID 44138331
Bisacetato-[[(1R)-6,6'-dimethoxy-[1,1'-biphenyl]-2,2'-diyl]bis[3,5-bis(1,1-dimethylethyl)phenylphosphine]ruthenium(II)
CID 138115063
1,1'-[(1R)-6,6'-Dimethoxy[1,1'-biphenyl]-2,2'-diyl]bis[1,1-diphenylphosphine oxide]
CID 9960582
(16aR)-1,16-Bis(diphenylphosphino)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecine
CID 10579936
(S)-C4-TunePhos
CID 10651337
(R)-C4-TunePhos
CID 10721691
(R)-(6,6'-Dimethoxy-[1,1'-biphenyl]-2,2'-diyl)bis(dicyclohexylphosphine)
CID 10866086

Frequently Asked Questions

What is the IUPAC name of [2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;ruthenium(2+);diacetate?
The IUPAC name of [2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;ruthenium(2+);diacetate (CID 171371490) is [2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;ruthenium(2+);diacetate.
What is the SMILES notation for [2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;ruthenium(2+);diacetate?
The canonical SMILES for [2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;ruthenium(2+);diacetate is CC(=O)[O-].CC(=O)[O-].COc1cccc([PH+](c2ccccc2)c2ccccc2)c1-c1c(OC)cccc1[PH+](c1ccccc1)c1ccccc1.[Ru+2].
What is the InChIKey of [2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;ruthenium(2+);diacetate?
The InChIKey is UKUGFDXXBDLOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32O2P2.2C2H4O2.Ru/c1-39-33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)38-34(40-2)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;2*1-2(3)4;/h3-28H,1-2H3;2*1H3,(H,3,4);/q;;;+2.
What are the key properties of [2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;ruthenium(2+);diacetate?
[2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;ruthenium(2+);diacetate has a molecular weight of 803.79 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;ruthenium(2+);diacetate is sourced from PubChem (CID 171371490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).