dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;ruthenium(2+);diiodide

C38H56I2P2Ru — CID 23179241

IUPACdicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;ruthenium(2+);diiodide
SMILESCc1cccc(P(C2CCCCC2)C2CCCCC2)c1-c1c(C)cccc1P(C1CCCCC1)C1CCCCC1.[I-].[I-].[Ru+2]
InChIInChI=1S/C38H56P2.2HI.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;;;/h15-18,27-28,31-34H,3-14,19-26H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyQWFPUTWNVOVZKE-UHFFFAOYSA-L
MW929.69 g/mol
LogP5.52
Rot. Bonds7

About dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;ruthenium(2+);diiodide

dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;ruthenium(2+);diiodide (PubChem CID 23179241) has the molecular formula C38H56I2P2Ru and a molecular weight of 929.69 g/mol. Its IUPAC name is dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;ruthenium(2+);diiodide.

Molecular Properties

Compound Namedicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;ruthenium(2+);diiodide
PubChem CID23179241
Molecular FormulaC38H56I2P2Ru
Molecular Weight929.69 g/mol
Exact Mass930.10
IUPAC Namedicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;ruthenium(2+);diiodide
SMILESCc1cccc(P(C2CCCCC2)C2CCCCC2)c1-c1c(C)cccc1P(C1CCCCC1)C1CCCCC1.[I-].[I-].[Ru+2]
InChIInChI=1S/C38H56P2.2HI.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;;;/h15-18,27-28,31-34H,3-14,19-26H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyQWFPUTWNVOVZKE-UHFFFAOYSA-L
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.69
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;ruthenium(2+);diiodide?
The IUPAC name of dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;ruthenium(2+);diiodide (CID 23179241) is dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;ruthenium(2+);diiodide.
What is the SMILES notation for dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;ruthenium(2+);diiodide?
The canonical SMILES for dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;ruthenium(2+);diiodide is Cc1cccc(P(C2CCCCC2)C2CCCCC2)c1-c1c(C)cccc1P(C1CCCCC1)C1CCCCC1.[I-].[I-].[Ru+2].
What is the InChIKey of dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;ruthenium(2+);diiodide?
The InChIKey is QWFPUTWNVOVZKE-UHFFFAOYSA-L. The full InChI is InChI=1S/C38H56P2.2HI.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;;;/h15-18,27-28,31-34H,3-14,19-26H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;ruthenium(2+);diiodide?
dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;ruthenium(2+);diiodide has a molecular weight of 929.69 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;ruthenium(2+);diiodide is sourced from PubChem (CID 23179241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).