benzene;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(1R,2R)-1-diphenylphosphanyl-1-phenylpropan-2-amine;hydride;pentane;ruthenium(2+);chloride

C76H73ClNP3Ru — CID 139096369

About benzene;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(1R,2R)-1-diphenylphosphanyl-1-phenylpropan-2-amine;hydride;pentane;ruthenium(2+);chloride

benzene;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(1R,2R)-1-diphenylphosphanyl-1-phenylpropan-2-amine;hydride;pentane;ruthenium(2+);chloride (PubChem CID 139096369) has the molecular formula C76H73ClNP3Ru and a molecular weight of 1229.87 g/mol. Its IUPAC name is benzene;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(1R,2R)-1-diphenylphosphanyl-1-phenylpropan-2-amine;hydride;pentane;ruthenium(2+);chloride.

Molecular Properties

• Compound Name: benzene;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(1R,2R)-1-diphenylphosphanyl-1-phenylpropan-2-amine;hydride;pentane;ruthenium(2+);chloride
• PubChem CID: 139096369
• Molecular Formula: C76H73ClNP3Ru
• Molecular Weight: 1229.87 g/mol
• Exact Mass: 1229.37
• IUPAC Name: benzene;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(1R,2R)-1-diphenylphosphanyl-1-phenylpropan-2-amine;hydride;pentane;ruthenium(2+);chloride
• SMILES: CCCCC.C[C@@H](N)[C@@H](c1ccccc1)P(c1ccccc1)c1ccccc1.[Cl-].[H-].[Ru+2].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1.c1ccccc1
• InChI: InChI=1S/C44H32P2.C21H22NP.C6H6.C5H12.ClH.Ru.H/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;1-17(22)21(18-11-5-2-6-12-18)23(19-13-7-3-8-14-19)20-15-9-4-10-16-20;1-2-4-6-5-3-1;1-3-5-4-2;;;/h1-32H;2-17,21H,22H2,1H3;1-6H;3-5H2,1-2H3;1H;;/q;;;;;+2;-1/p-1/t;17-,21+;;;;;/m.1...../s1
• InChIKey: SRZBJKGGUCBDGA-DVQZHOMBSA-M
• XLogP: 14.38
• TPSA: 26.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 14
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1229.87
LogP ≤ 5	14.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzene;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(1R,2R)-1-diphenylphosphanyl-1-phenylpropan-2-amine;hydride;pentane;ruthenium(2+);chloride?

The IUPAC name of benzene;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(1R,2R)-1-diphenylphosphanyl-1-phenylpropan-2-amine;hydride;pentane;ruthenium(2+);chloride (CID 139096369) is benzene;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(1R,2R)-1-diphenylphosphanyl-1-phenylpropan-2-amine;hydride;pentane;ruthenium(2+);chloride.

What is the SMILES notation for benzene;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(1R,2R)-1-diphenylphosphanyl-1-phenylpropan-2-amine;hydride;pentane;ruthenium(2+);chloride?

The canonical SMILES for benzene;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(1R,2R)-1-diphenylphosphanyl-1-phenylpropan-2-amine;hydride;pentane;ruthenium(2+);chloride is CCCCC.C[C@@H](N)[C@@H](c1ccccc1)P(c1ccccc1)c1ccccc1.[Cl-].[H-].[Ru+2].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1.c1ccccc1.

What is the InChIKey of benzene;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(1R,2R)-1-diphenylphosphanyl-1-phenylpropan-2-amine;hydride;pentane;ruthenium(2+);chloride?

The InChIKey is SRZBJKGGUCBDGA-DVQZHOMBSA-M. The full InChI is InChI=1S/C44H32P2.C21H22NP.C6H6.C5H12.ClH.Ru.H/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;1-17(22)21(18-11-5-2-6-12-18)23(19-13-7-3-8-14-19)20-15-9-4-10-16-20;1-2-4-6-5-3-1;1-3-5-4-2;;;/h1-32H;2-17,21H,22H2,1H3;1-6H;3-5H2,1-2H3;1H;;/q;;;;;+2;-1/p-1/t;17-,21+;;;;;/m.1...../s1.

What are the key properties of benzene;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(1R,2R)-1-diphenylphosphanyl-1-phenylpropan-2-amine;hydride;pentane;ruthenium(2+);chloride?

benzene;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(1R,2R)-1-diphenylphosphanyl-1-phenylpropan-2-amine;hydride;pentane;ruthenium(2+);chloride has a molecular weight of 1229.87 g/mol, XLogP of 14.38, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(1R,2R)-1-diphenylphosphanyl-1-phenylpropan-2-amine;hydride;pentane;ruthenium(2+);chloride is sourced from PubChem (CID 139096369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).