carbanide;bis(chlororuthenium(3+));[4-[(2R)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[1-(2-dimethylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-dimethylphosphanium;[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide

C75H87Cl2N4O5P2Ru2S+5 — CID 157488933

About carbanide;bis(chlororuthenium(3+));[4-[(2R)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[1-(2-dimethylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-dimethylphosphanium;[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide

carbanide;bis(chlororuthenium(3+));[4-[(2R)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[1-(2-dimethylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-dimethylphosphanium;[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide (PubChem CID 157488933) has the molecular formula C75H87Cl2N4O5P2Ru2S+5 and a molecular weight of 1491.60 g/mol. Its IUPAC name is carbanide;bis(chlororuthenium(3+));[4-[(2R)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[1-(2-dimethylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-dimethylphosphanium;[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide.

Molecular Properties

• Compound Name: carbanide;bis(chlororuthenium(3+));[4-[(2R)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[1-(2-dimethylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-dimethylphosphanium;[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide
• PubChem CID: 157488933
• Molecular Formula: C75H87Cl2N4O5P2Ru2S+5
• Molecular Weight: 1491.60 g/mol
• Exact Mass: 1491.33
• IUPAC Name: carbanide;bis(chlororuthenium(3+));[4-[(2R)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[1-(2-dimethylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-dimethylphosphanium;[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide
• SMILES: COc1ccc(C(N)(c2[c-]cc(CO)cc2)[C@H](N)C(C)C)cc1.C[PH+](C)c1ccc2ccccc2c1-c1c([PH+](C)C)ccc2ccccc12.Cc1ccc(COCCN[C@H](c2ccccc2)[C@H]([N-]S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1.Cl[Ru+3].Cl[Ru+3].[CH3-]
• InChI: InChI=1S/C31H33N2O3S.C24H24P2.C19H25N2O2.CH3.2ClH.2Ru/c1-24-13-17-26(18-14-24)23-36-22-21-32-30(27-9-5-3-6-10-27)31(28-11-7-4-8-12-28)33-37(34,35)29-19-15-25(2)16-20-29;1-25(2)21-15-13-17-9-5-7-11-19(17)23(21)24-20-12-8-6-10-18(20)14-16-22(24)26(3)4;1-13(2)18(20)19(21,15-6-4-14(12-22)5-7-15)16-8-10-17(23-3)11-9-16;;;;;/h3-20,30-32H,21-23H2,1-2H3;5-16H,1-4H3;4-6,8-11,13,18,22H,12,20-21H2,1-3H3;1H3;2*1H;;/q-1;;2*-1;;;2*+4/t30-,31-;;18-,19?;;;;;/m1.1...../s1
• InChIKey: MHEKGSYBNRDJCB-JONZYQAHSA-N
• XLogP: 16.51
• TPSA: 151.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 21
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1491.60
LogP ≤ 5	16.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(chlororuthenium(3+));[4-[(2R)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[1-(2-dimethylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-dimethylphosphanium;[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide?

The IUPAC name of carbanide;bis(chlororuthenium(3+));[4-[(2R)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[1-(2-dimethylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-dimethylphosphanium;[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide (CID 157488933) is carbanide;bis(chlororuthenium(3+));[4-[(2R)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[1-(2-dimethylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-dimethylphosphanium;[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide.

What is the SMILES notation for carbanide;bis(chlororuthenium(3+));[4-[(2R)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[1-(2-dimethylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-dimethylphosphanium;[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide?

The canonical SMILES for carbanide;bis(chlororuthenium(3+));[4-[(2R)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[1-(2-dimethylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-dimethylphosphanium;[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide is COc1ccc(C(N)(c2[c-]cc(CO)cc2)[C@H](N)C(C)C)cc1.C[PH+](C)c1ccc2ccccc2c1-c1c([PH+](C)C)ccc2ccccc12.Cc1ccc(COCCN[C@H](c2ccccc2)[C@H]([N-]S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1.Cl[Ru+3].Cl[Ru+3].[CH3-].

What is the InChIKey of carbanide;bis(chlororuthenium(3+));[4-[(2R)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[1-(2-dimethylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-dimethylphosphanium;[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide?

The InChIKey is MHEKGSYBNRDJCB-JONZYQAHSA-N. The full InChI is InChI=1S/C31H33N2O3S.C24H24P2.C19H25N2O2.CH3.2ClH.2Ru/c1-24-13-17-26(18-14-24)23-36-22-21-32-30(27-9-5-3-6-10-27)31(28-11-7-4-8-12-28)33-37(34,35)29-19-15-25(2)16-20-29;1-25(2)21-15-13-17-9-5-7-11-19(17)23(21)24-20-12-8-6-10-18(20)14-16-22(24)26(3)4;1-13(2)18(20)19(21,15-6-4-14(12-22)5-7-15)16-8-10-17(23-3)11-9-16;;;;;/h3-20,30-32H,21-23H2,1-2H3;5-16H,1-4H3;4-6,8-11,13,18,22H,12,20-21H2,1-3H3;1H3;2*1H;;/q-1;;2*-1;;;2*+4/t30-,31-;;18-,19?;;;;;/m1.1...../s1.

What are the key properties of carbanide;bis(chlororuthenium(3+));[4-[(2R)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[1-(2-dimethylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-dimethylphosphanium;[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide?

carbanide;bis(chlororuthenium(3+));[4-[(2R)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[1-(2-dimethylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-dimethylphosphanium;[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide has a molecular weight of 1491.60 g/mol, XLogP of 16.51, 21 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;bis(chlororuthenium(3+));[4-[(2R)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[1-(2-dimethylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-dimethylphosphanium;[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide is sourced from PubChem (CID 157488933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).