dichlororuthenium(2+);[1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;piperidin-1-ide;2H-pyridin-1-ide

C54H50Cl2N2P2Ru+2 — CID 6394026

About dichlororuthenium(2+);[1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;piperidin-1-ide;2H-pyridin-1-ide

dichlororuthenium(2+);[1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;piperidin-1-ide;2H-pyridin-1-ide (PubChem CID 6394026) has the molecular formula C54H50Cl2N2P2Ru+2 and a molecular weight of 960.93 g/mol. Its IUPAC name is dichlororuthenium(2+);[1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;piperidin-1-ide;2H-pyridin-1-ide.

Molecular Properties

• Compound Name: dichlororuthenium(2+);[1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;piperidin-1-ide;2H-pyridin-1-ide
• PubChem CID: 6394026
• Molecular Formula: C54H50Cl2N2P2Ru+2
• Molecular Weight: 960.93 g/mol
• Exact Mass: 960.19
• IUPAC Name: dichlororuthenium(2+);[1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;piperidin-1-ide;2H-pyridin-1-ide
• SMILES: C1=CC[N-]C=C1.C1CC[N-]CC1.Cl[Ru+2]Cl.c1ccc([PH+](c2ccccc2)c2ccc3ccccc3c2-c2c([PH+](c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
• InChI: InChI=1S/C44H32P2.C5H10N.C5H6N.2ClH.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;2*1-2-4-6-5-3-1;;;/h1-32H;1-5H2;1-4H,5H2;2*1H;/q;2*-1;;;+4
• InChIKey: ASSZPQSHQQRXEK-UHFFFAOYSA-N
• XLogP: 13.01
• TPSA: 28.20 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	960.93
LogP ≤ 5	13.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dichlororuthenium(2+);[1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;piperidin-1-ide;2H-pyridin-1-ide?

The IUPAC name of dichlororuthenium(2+);[1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;piperidin-1-ide;2H-pyridin-1-ide (CID 6394026) is dichlororuthenium(2+);[1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;piperidin-1-ide;2H-pyridin-1-ide.

What is the SMILES notation for dichlororuthenium(2+);[1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;piperidin-1-ide;2H-pyridin-1-ide?

The canonical SMILES for dichlororuthenium(2+);[1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;piperidin-1-ide;2H-pyridin-1-ide is C1=CC[N-]C=C1.C1CC[N-]CC1.Cl[Ru+2]Cl.c1ccc([PH+](c2ccccc2)c2ccc3ccccc3c2-c2c([PH+](c3ccccc3)c3ccccc3)ccc3ccccc23)cc1.

What is the InChIKey of dichlororuthenium(2+);[1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;piperidin-1-ide;2H-pyridin-1-ide?

The InChIKey is ASSZPQSHQQRXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32P2.C5H10N.C5H6N.2ClH.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;2*1-2-4-6-5-3-1;;;/h1-32H;1-5H2;1-4H,5H2;2*1H;/q;2*-1;;;+4.

What are the key properties of dichlororuthenium(2+);[1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;piperidin-1-ide;2H-pyridin-1-ide?

dichlororuthenium(2+);[1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;piperidin-1-ide;2H-pyridin-1-ide has a molecular weight of 960.93 g/mol, XLogP of 13.01, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for dichlororuthenium(2+);[1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;piperidin-1-ide;2H-pyridin-1-ide is sourced from PubChem (CID 6394026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).