[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane;ruthenium;bis(2,2,2-trifluoroacetic acid)

C46H42F6O4P2Ru — CID 11982227

IUPAC[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane;ruthenium;bis(2,2,2-trifluoroacetic acid)
SMILESCc1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)cc(C)c(C)c2C)c(C)c1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[Ru]
InChIInChI=1S/C42H40P2.2C2HF3O2.Ru/c1-29-27-39(43(35-19-11-7-12-20-35)36-21-13-8-14-22-36)41(33(5)31(29)3)42-34(6)32(4)30(2)28-40(42)44(37-23-15-9-16-24-37)38-25-17-10-18-26-38;2*3-2(4,5)1(6)7;/h7-28H,1-6H3;2*(H,6,7);
InChIKeyJVULNXVJGIEXMW-UHFFFAOYSA-N
MW935.84 g/mol
LogP9.98
Rot. Bonds7

About [2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane;ruthenium;bis(2,2,2-trifluoroacetic acid)

[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane;ruthenium;bis(2,2,2-trifluoroacetic acid) (PubChem CID 11982227) has the molecular formula C46H42F6O4P2Ru and a molecular weight of 935.84 g/mol. Its IUPAC name is [2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane;ruthenium;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane;ruthenium;bis(2,2,2-trifluoroacetic acid)
PubChem CID11982227
Molecular FormulaC46H42F6O4P2Ru
Molecular Weight935.84 g/mol
Exact Mass936.15
IUPAC Name[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane;ruthenium;bis(2,2,2-trifluoroacetic acid)
SMILESCc1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)cc(C)c(C)c2C)c(C)c1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[Ru]
InChIInChI=1S/C42H40P2.2C2HF3O2.Ru/c1-29-27-39(43(35-19-11-7-12-20-35)36-21-13-8-14-22-36)41(33(5)31(29)3)42-34(6)32(4)30(2)28-40(42)44(37-23-15-9-16-24-37)38-25-17-10-18-26-38;2*3-2(4,5)1(6)7;/h7-28H,1-6H3;2*(H,6,7);
InChIKeyJVULNXVJGIEXMW-UHFFFAOYSA-N
XLogP9.98
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.84
LogP ≤ 59.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane;ruthenium;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of [2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane;ruthenium;bis(2,2,2-trifluoroacetic acid) (CID 11982227) is [2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane;ruthenium;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for [2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane;ruthenium;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for [2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane;ruthenium;bis(2,2,2-trifluoroacetic acid) is Cc1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)cc(C)c(C)c2C)c(C)c1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[Ru].
What is the InChIKey of [2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane;ruthenium;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is JVULNXVJGIEXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40P2.2C2HF3O2.Ru/c1-29-27-39(43(35-19-11-7-12-20-35)36-21-13-8-14-22-36)41(33(5)31(29)3)42-34(6)32(4)30(2)28-40(42)44(37-23-15-9-16-24-37)38-25-17-10-18-26-38;2*3-2(4,5)1(6)7;/h7-28H,1-6H3;2*(H,6,7);.
What are the key properties of [2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane;ruthenium;bis(2,2,2-trifluoroacetic acid)?
[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane;ruthenium;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 935.84 g/mol, XLogP of 9.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane;ruthenium;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 11982227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).