[2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;ruthenium(2+);dibenzoate

C52H42O4P2Ru — CID 21296878

IUPAC[2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;ruthenium(2+);dibenzoate
SMILESCc1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(C)cccc1P(c1ccccc1)c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Ru+2]
InChIInChI=1S/C38H32P2.2C7H6O2.Ru/c1-29-17-15-27-35(39(31-19-7-3-8-20-31)32-21-9-4-10-22-32)37(29)38-30(2)18-16-28-36(38)40(33-23-11-5-12-24-33)34-25-13-6-14-26-34;2*8-7(9)6-4-2-1-3-5-6;/h3-28H,1-2H3;2*1-5H,(H,8,9);/q;;;+2/p-2
InChIKeyGWFYSBVCMKFLLX-UHFFFAOYSA-L
MW893.92 g/mol
LogP7.58
Rot. Bonds9

About [2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;ruthenium(2+);dibenzoate

[2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;ruthenium(2+);dibenzoate (PubChem CID 21296878) has the molecular formula C52H42O4P2Ru and a molecular weight of 893.92 g/mol. Its IUPAC name is [2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;ruthenium(2+);dibenzoate.

Molecular Properties

Compound Name[2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;ruthenium(2+);dibenzoate
PubChem CID21296878
Molecular FormulaC52H42O4P2Ru
Molecular Weight893.92 g/mol
Exact Mass894.16
IUPAC Name[2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;ruthenium(2+);dibenzoate
SMILESCc1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(C)cccc1P(c1ccccc1)c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Ru+2]
InChIInChI=1S/C38H32P2.2C7H6O2.Ru/c1-29-17-15-27-35(39(31-19-7-3-8-20-31)32-21-9-4-10-22-32)37(29)38-30(2)18-16-28-36(38)40(33-23-11-5-12-24-33)34-25-13-6-14-26-34;2*8-7(9)6-4-2-1-3-5-6;/h3-28H,1-2H3;2*1-5H,(H,8,9);/q;;;+2/p-2
InChIKeyGWFYSBVCMKFLLX-UHFFFAOYSA-L
XLogP7.58
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.92
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;ruthenium(2+);dibenzoate 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

ethane;benzoate
CID 161103305
copper;zinc;tetrabenzoate
CID 174787917
ethane;benzoate
CID 90830280
fluoromethane benzoate
CID 162095004
barium(2+) benzoate
CID 22608800
cerium(3+) tribenzoate
CID 6452877
cobalt(3+) tribenzoate
CID 20537733
aluminum dibenzoate
CID 18679092
benzoate tetrahydrate
CID 18510013
platinum(4+) tetrabenzoate
CID 173022810
cadmium(2+) benzoate
CID 22051861
azanium benzoate
CID 15830

Frequently Asked Questions

What is the IUPAC name of [2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;ruthenium(2+);dibenzoate?
The IUPAC name of [2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;ruthenium(2+);dibenzoate (CID 21296878) is [2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;ruthenium(2+);dibenzoate.
What is the SMILES notation for [2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;ruthenium(2+);dibenzoate?
The canonical SMILES for [2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;ruthenium(2+);dibenzoate is Cc1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(C)cccc1P(c1ccccc1)c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Ru+2].
What is the InChIKey of [2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;ruthenium(2+);dibenzoate?
The InChIKey is GWFYSBVCMKFLLX-UHFFFAOYSA-L. The full InChI is InChI=1S/C38H32P2.2C7H6O2.Ru/c1-29-17-15-27-35(39(31-19-7-3-8-20-31)32-21-9-4-10-22-32)37(29)38-30(2)18-16-28-36(38)40(33-23-11-5-12-24-33)34-25-13-6-14-26-34;2*8-7(9)6-4-2-1-3-5-6;/h3-28H,1-2H3;2*1-5H,(H,8,9);/q;;;+2/p-2.
What are the key properties of [2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;ruthenium(2+);dibenzoate?
[2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;ruthenium(2+);dibenzoate has a molecular weight of 893.92 g/mol, XLogP of 7.58, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;ruthenium(2+);dibenzoate is sourced from PubChem (CID 21296878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).