[2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;rhodium;bis(trimethoxyphosphanium)

C44H54O8P4Rh+4 — CID 6396462

IUPAC[2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;rhodium;bis(trimethoxyphosphanium)
SMILESCO[PH+](OC)OC.CO[PH+](OC)OC.COc1cccc([PH+](c2ccccc2)c2ccccc2)c1-c1c(OC)cccc1[PH+](c1ccccc1)c1ccccc1.[Rh]
InChIInChI=1S/C38H32O2P2.2C3H10O3P.Rh/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*1-4-7(5-2)6-3;/h3-28H,1-2H3;2*7H,1-3H3;/q;2*+1;/p+2
InChIKeyANXMCPGYNGMKDP-UHFFFAOYSA-P
MW937.71 g/mol
LogP8.12
Rot. Bonds15

About [2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;rhodium;bis(trimethoxyphosphanium)

[2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;rhodium;bis(trimethoxyphosphanium) (PubChem CID 6396462) has the molecular formula C44H54O8P4Rh+4 and a molecular weight of 937.71 g/mol. Its IUPAC name is [2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;rhodium;bis(trimethoxyphosphanium).

Molecular Properties

Compound Name[2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;rhodium;bis(trimethoxyphosphanium)
PubChem CID6396462
Molecular FormulaC44H54O8P4Rh+4
Molecular Weight937.71 g/mol
Exact Mass937.18
IUPAC Name[2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;rhodium;bis(trimethoxyphosphanium)
SMILESCO[PH+](OC)OC.CO[PH+](OC)OC.COc1cccc([PH+](c2ccccc2)c2ccccc2)c1-c1c(OC)cccc1[PH+](c1ccccc1)c1ccccc1.[Rh]
InChIInChI=1S/C38H32O2P2.2C3H10O3P.Rh/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*1-4-7(5-2)6-3;/h3-28H,1-2H3;2*7H,1-3H3;/q;2*+1;/p+2
InChIKeyANXMCPGYNGMKDP-UHFFFAOYSA-P
XLogP8.12
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.71
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-bis(3,5-dimethylphenyl)phosphaniumyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-dimethylphenyl)phosphanium;ruthenium(2+);diacetate
CID 138115063
[2-[2-bis(3,5-ditert-butylphenyl)phosphaniumyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-ditert-butylphenyl)phosphanium;ruthenium(2+);diacetate
CID 178183986
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
CID 174437926
ethylideneazanide;[2-(2-methanidylphenoxy)phenyl]-diphenylphosphanium;palladium
CID 160956053
hexakis(triphenylphosphanium);hexabromide
CID 160734106
1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene
CID 141041687
(2-methoxyphenyl)-triphenylphosphanium bromide
CID 18355982
2-(2-chlorophenyl)-1,3-dimethoxybenzene;phenylphosphane
CID 175553236
formaldehyde;ruthenium;tris(triphenylphosphanium)
CID 22165433
(2,3-ditert-butylphenyl)-diphenylphosphanium bromide
CID 159325523

Frequently Asked Questions

What is the IUPAC name of [2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;rhodium;bis(trimethoxyphosphanium)?
The IUPAC name of [2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;rhodium;bis(trimethoxyphosphanium) (CID 6396462) is [2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;rhodium;bis(trimethoxyphosphanium).
What is the SMILES notation for [2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;rhodium;bis(trimethoxyphosphanium)?
The canonical SMILES for [2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;rhodium;bis(trimethoxyphosphanium) is CO[PH+](OC)OC.CO[PH+](OC)OC.COc1cccc([PH+](c2ccccc2)c2ccccc2)c1-c1c(OC)cccc1[PH+](c1ccccc1)c1ccccc1.[Rh].
What is the InChIKey of [2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;rhodium;bis(trimethoxyphosphanium)?
The InChIKey is ANXMCPGYNGMKDP-UHFFFAOYSA-P. The full InChI is InChI=1S/C38H32O2P2.2C3H10O3P.Rh/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*1-4-7(5-2)6-3;/h3-28H,1-2H3;2*7H,1-3H3;/q;2*+1;/p+2.
What are the key properties of [2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;rhodium;bis(trimethoxyphosphanium)?
[2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;rhodium;bis(trimethoxyphosphanium) has a molecular weight of 937.71 g/mol, XLogP of 8.12, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;rhodium;bis(trimethoxyphosphanium) is sourced from PubChem (CID 6396462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).