dichlororuthenium;4-diphenylphosphanylbutyl(diphenyl)phosphane;2-pyridin-2-ylpyridine

C38H36Cl2N2P2Ru — CID 12028300

IUPACdichlororuthenium;4-diphenylphosphanylbutyl(diphenyl)phosphane;2-pyridin-2-ylpyridine
SMILESCl[Ru]Cl.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28P2.C10H8N2.2ClH.Ru/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h1-12,15-22H,13-14,23-24H2;1-8H;2*1H;/q;;;;+2/p-2
InChIKeyMEOGXRQPINKITB-UHFFFAOYSA-L
MW754.64 g/mol
LogP9.55
Rot. Bonds10

About dichlororuthenium;4-diphenylphosphanylbutyl(diphenyl)phosphane;2-pyridin-2-ylpyridine

dichlororuthenium;4-diphenylphosphanylbutyl(diphenyl)phosphane;2-pyridin-2-ylpyridine (PubChem CID 12028300) has the molecular formula C38H36Cl2N2P2Ru and a molecular weight of 754.64 g/mol. Its IUPAC name is dichlororuthenium;4-diphenylphosphanylbutyl(diphenyl)phosphane;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namedichlororuthenium;4-diphenylphosphanylbutyl(diphenyl)phosphane;2-pyridin-2-ylpyridine
PubChem CID12028300
Molecular FormulaC38H36Cl2N2P2Ru
Molecular Weight754.64 g/mol
Exact Mass754.08
IUPAC Namedichlororuthenium;4-diphenylphosphanylbutyl(diphenyl)phosphane;2-pyridin-2-ylpyridine
SMILESCl[Ru]Cl.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28P2.C10H8N2.2ClH.Ru/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h1-12,15-22H,13-14,23-24H2;1-8H;2*1H;/q;;;;+2/p-2
InChIKeyMEOGXRQPINKITB-UHFFFAOYSA-L
XLogP9.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.64
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;4-diphenylphosphanylbutyl(diphenyl)phosphane;2-pyridin-2-ylpyridine?
The IUPAC name of dichlororuthenium;4-diphenylphosphanylbutyl(diphenyl)phosphane;2-pyridin-2-ylpyridine (CID 12028300) is dichlororuthenium;4-diphenylphosphanylbutyl(diphenyl)phosphane;2-pyridin-2-ylpyridine.
What is the SMILES notation for dichlororuthenium;4-diphenylphosphanylbutyl(diphenyl)phosphane;2-pyridin-2-ylpyridine?
The canonical SMILES for dichlororuthenium;4-diphenylphosphanylbutyl(diphenyl)phosphane;2-pyridin-2-ylpyridine is Cl[Ru]Cl.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dichlororuthenium;4-diphenylphosphanylbutyl(diphenyl)phosphane;2-pyridin-2-ylpyridine?
The InChIKey is MEOGXRQPINKITB-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H28P2.C10H8N2.2ClH.Ru/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h1-12,15-22H,13-14,23-24H2;1-8H;2*1H;/q;;;;+2/p-2.
What are the key properties of dichlororuthenium;4-diphenylphosphanylbutyl(diphenyl)phosphane;2-pyridin-2-ylpyridine?
dichlororuthenium;4-diphenylphosphanylbutyl(diphenyl)phosphane;2-pyridin-2-ylpyridine has a molecular weight of 754.64 g/mol, XLogP of 9.55, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;4-diphenylphosphanylbutyl(diphenyl)phosphane;2-pyridin-2-ylpyridine is sourced from PubChem (CID 12028300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).