(1R,2R)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(6+);dichloride

C58H48Cl2N2P2Ru+4 — CID 25029251

About (1R,2R)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(6+);dichloride

(1R,2R)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(6+);dichloride (PubChem CID 25029251) has the molecular formula C58H48Cl2N2P2Ru+4 and a molecular weight of 1006.96 g/mol. Its IUPAC name is (1R,2R)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(6+);dichloride.

Molecular Properties

• Compound Name: (1R,2R)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(6+);dichloride
• PubChem CID: 25029251
• Molecular Formula: C58H48Cl2N2P2Ru+4
• Molecular Weight: 1006.96 g/mol
• Exact Mass: 1006.17
• IUPAC Name: (1R,2R)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(6+);dichloride
• SMILES: N[C@H](c1ccccc1)[C@H](N)c1ccccc1.[Cl-].[Cl-].[Ru+6].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
• InChI: InChI=1S/C44H32P2.C14H16N2.2ClH.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;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h1-32H;1-10,13-14H,15-16H2;2*1H;/q;;;;+6/p-2/t;13-,14-;;;/m.1.../s1
• InChIKey: OKELOEPCKYFARP-ODQAEMFESA-L
• XLogP: 5.57
• TPSA: 52.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1006.96
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(6+);dichloride?

The IUPAC name of (1R,2R)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(6+);dichloride (CID 25029251) is (1R,2R)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(6+);dichloride.

What is the SMILES notation for (1R,2R)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(6+);dichloride?

The canonical SMILES for (1R,2R)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(6+);dichloride is N[C@H](c1ccccc1)[C@H](N)c1ccccc1.[Cl-].[Cl-].[Ru+6].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1.

What is the InChIKey of (1R,2R)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(6+);dichloride?

The InChIKey is OKELOEPCKYFARP-ODQAEMFESA-L. The full InChI is InChI=1S/C44H32P2.C14H16N2.2ClH.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;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h1-32H;1-10,13-14H,15-16H2;2*1H;/q;;;;+6/p-2/t;13-,14-;;;/m.1.../s1.

What are the key properties of (1R,2R)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(6+);dichloride?

(1R,2R)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(6+);dichloride has a molecular weight of 1006.96 g/mol, XLogP of 5.57, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2R)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(6+);dichloride is sourced from PubChem (CID 25029251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).