[(2S)-1-azanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutan-2-yl]azanide;[4-[5-bis(3,5-dimethylphenyl)phosphaniumyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphanium;dichlororuthenium(2+)

C65H70Cl2N2O6P2Ru+2 — CID 164887054

About [(2S)-1-azanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutan-2-yl]azanide;[4-[5-bis(3,5-dimethylphenyl)phosphaniumyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphanium;dichlororuthenium(2+)

[(2S)-1-azanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutan-2-yl]azanide;[4-[5-bis(3,5-dimethylphenyl)phosphaniumyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphanium;dichlororuthenium(2+) (PubChem CID 164887054) has the molecular formula C65H70Cl2N2O6P2Ru+2 and a molecular weight of 1209.21 g/mol. Its IUPAC name is [(2S)-1-azanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutan-2-yl]azanide;[4-[5-bis(3,5-dimethylphenyl)phosphaniumyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphanium;dichlororuthenium(2+).

Molecular Properties

• Compound Name: [(2S)-1-azanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutan-2-yl]azanide;[4-[5-bis(3,5-dimethylphenyl)phosphaniumyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphanium;dichlororuthenium(2+)
• PubChem CID: 164887054
• Molecular Formula: C65H70Cl2N2O6P2Ru+2
• Molecular Weight: 1209.21 g/mol
• Exact Mass: 1208.31
• IUPAC Name: [(2S)-1-azanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutan-2-yl]azanide;[4-[5-bis(3,5-dimethylphenyl)phosphaniumyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphanium;dichlororuthenium(2+)
• SMILES: COc1ccc(C([NH-])(c2ccc(OC)cc2)[C@@H]([NH-])C(C)C)cc1.Cc1cc(C)cc([PH+](c2cc(C)cc(C)c2)c2ccc3c(c2-c2c([PH+](c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)ccc4c2OCO4)OCO3)c1.Cl[Ru+2]Cl
• InChI: InChI=1S/C46H44O4P2.C19H24N2O2.2ClH.Ru/c1-27-13-28(2)18-35(17-27)51(36-19-29(3)14-30(4)20-36)41-11-9-39-45(49-25-47-39)43(41)44-42(12-10-40-46(44)50-26-48-40)52(37-21-31(5)15-32(6)22-37)38-23-33(7)16-34(8)24-38;1-13(2)18(20)19(21,14-5-9-16(22-3)10-6-14)15-7-11-17(23-4)12-8-15;;;/h9-24H,25-26H2,1-8H3;5-13,18,20-21H,1-4H3;2*1H;/q;-2;;;+4/t;18-;;;/m.0.../s1
• InChIKey: CMMXZMXNRFGXAP-OGLOXHGMSA-N
• XLogP: 14.71
• TPSA: 102.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1209.21
LogP ≤ 5	14.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-azanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutan-2-yl]azanide;[4-[5-bis(3,5-dimethylphenyl)phosphaniumyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphanium;dichlororuthenium(2+)?

The IUPAC name of [(2S)-1-azanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutan-2-yl]azanide;[4-[5-bis(3,5-dimethylphenyl)phosphaniumyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphanium;dichlororuthenium(2+) (CID 164887054) is [(2S)-1-azanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutan-2-yl]azanide;[4-[5-bis(3,5-dimethylphenyl)phosphaniumyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphanium;dichlororuthenium(2+).

What is the SMILES notation for [(2S)-1-azanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutan-2-yl]azanide;[4-[5-bis(3,5-dimethylphenyl)phosphaniumyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphanium;dichlororuthenium(2+)?

The canonical SMILES for [(2S)-1-azanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutan-2-yl]azanide;[4-[5-bis(3,5-dimethylphenyl)phosphaniumyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphanium;dichlororuthenium(2+) is COc1ccc(C([NH-])(c2ccc(OC)cc2)[C@@H]([NH-])C(C)C)cc1.Cc1cc(C)cc([PH+](c2cc(C)cc(C)c2)c2ccc3c(c2-c2c([PH+](c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)ccc4c2OCO4)OCO3)c1.Cl[Ru+2]Cl.

What is the InChIKey of [(2S)-1-azanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutan-2-yl]azanide;[4-[5-bis(3,5-dimethylphenyl)phosphaniumyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphanium;dichlororuthenium(2+)?

The InChIKey is CMMXZMXNRFGXAP-OGLOXHGMSA-N. The full InChI is InChI=1S/C46H44O4P2.C19H24N2O2.2ClH.Ru/c1-27-13-28(2)18-35(17-27)51(36-19-29(3)14-30(4)20-36)41-11-9-39-45(49-25-47-39)43(41)44-42(12-10-40-46(44)50-26-48-40)52(37-21-31(5)15-32(6)22-37)38-23-33(7)16-34(8)24-38;1-13(2)18(20)19(21,14-5-9-16(22-3)10-6-14)15-7-11-17(23-4)12-8-15;;;/h9-24H,25-26H2,1-8H3;5-13,18,20-21H,1-4H3;2*1H;/q;-2;;;+4/t;18-;;;/m.0.../s1.

What are the key properties of [(2S)-1-azanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutan-2-yl]azanide;[4-[5-bis(3,5-dimethylphenyl)phosphaniumyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphanium;dichlororuthenium(2+)?

[(2S)-1-azanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutan-2-yl]azanide;[4-[5-bis(3,5-dimethylphenyl)phosphaniumyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphanium;dichlororuthenium(2+) has a molecular weight of 1209.21 g/mol, XLogP of 14.71, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-azanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutan-2-yl]azanide;[4-[5-bis(3,5-dimethylphenyl)phosphaniumyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphanium;dichlororuthenium(2+) is sourced from PubChem (CID 164887054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).