1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;4,7-diphenyl-1,10-phenanthroline;4-(4-methoxyperoxysulfanylphenyl)-7-phenyl-1,10-phenanthroline;ruthenium(2+)

C75H50N4O3RuS — CID 59741897

About 1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;4,7-diphenyl-1,10-phenanthroline;4-(4-methoxyperoxysulfanylphenyl)-7-phenyl-1,10-phenanthroline;ruthenium(2+)

1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;4,7-diphenyl-1,10-phenanthroline;4-(4-methoxyperoxysulfanylphenyl)-7-phenyl-1,10-phenanthroline;ruthenium(2+) (PubChem CID 59741897) has the molecular formula C75H50N4O3RuS and a molecular weight of 1188.39 g/mol. Its IUPAC name is 1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;4,7-diphenyl-1,10-phenanthroline;4-(4-methoxyperoxysulfanylphenyl)-7-phenyl-1,10-phenanthroline;ruthenium(2+).

Molecular Properties

• Compound Name: 1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;4,7-diphenyl-1,10-phenanthroline;4-(4-methoxyperoxysulfanylphenyl)-7-phenyl-1,10-phenanthroline;ruthenium(2+)
• PubChem CID: 59741897
• Molecular Formula: C75H50N4O3RuS
• Molecular Weight: 1188.39 g/mol
• Exact Mass: 1188.26
• IUPAC Name: 1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;4,7-diphenyl-1,10-phenanthroline;4-(4-methoxyperoxysulfanylphenyl)-7-phenyl-1,10-phenanthroline;ruthenium(2+)
• SMILES: COOOSc1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.[Ru+2].[c-]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc[c-]c3c12.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
• InChI: InChI=1S/C26H16.C25H18N2O3S.C24H16N2.Ru/c1-3-9-19(10-4-1)21-13-7-15-23-24-16-8-14-22(20-11-5-2-6-12-20)26(24)18-17-25(21)23;1-28-29-30-31-19-9-7-18(8-10-19)21-14-16-27-25-23(21)12-11-22-20(13-15-26-24(22)25)17-5-3-2-4-6-17;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;/h1-14,17-18H;2-16H,1H3;1-16H;/q-2;;;+2
• InChIKey: DNGRGOXYACUNSX-UHFFFAOYSA-N
• XLogP: 19.68
• TPSA: 79.25 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1188.39
LogP ≤ 5	19.68
H-Bond Donors ≤ 5	0
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;4,7-diphenyl-1,10-phenanthroline;4-(4-methoxyperoxysulfanylphenyl)-7-phenyl-1,10-phenanthroline;ruthenium(2+)?

The IUPAC name of 1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;4,7-diphenyl-1,10-phenanthroline;4-(4-methoxyperoxysulfanylphenyl)-7-phenyl-1,10-phenanthroline;ruthenium(2+) (CID 59741897) is 1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;4,7-diphenyl-1,10-phenanthroline;4-(4-methoxyperoxysulfanylphenyl)-7-phenyl-1,10-phenanthroline;ruthenium(2+).

What is the SMILES notation for 1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;4,7-diphenyl-1,10-phenanthroline;4-(4-methoxyperoxysulfanylphenyl)-7-phenyl-1,10-phenanthroline;ruthenium(2+)?

The canonical SMILES for 1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;4,7-diphenyl-1,10-phenanthroline;4-(4-methoxyperoxysulfanylphenyl)-7-phenyl-1,10-phenanthroline;ruthenium(2+) is COOOSc1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.[Ru+2].[c-]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc[c-]c3c12.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.

What is the InChIKey of 1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;4,7-diphenyl-1,10-phenanthroline;4-(4-methoxyperoxysulfanylphenyl)-7-phenyl-1,10-phenanthroline;ruthenium(2+)?

The InChIKey is DNGRGOXYACUNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16.C25H18N2O3S.C24H16N2.Ru/c1-3-9-19(10-4-1)21-13-7-15-23-24-16-8-14-22(20-11-5-2-6-12-20)26(24)18-17-25(21)23;1-28-29-30-31-19-9-7-18(8-10-19)21-14-16-27-25-23(21)12-11-22-20(13-15-26-24(22)25)17-5-3-2-4-6-17;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;/h1-14,17-18H;2-16H,1H3;1-16H;/q-2;;;+2.

What are the key properties of 1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;4,7-diphenyl-1,10-phenanthroline;4-(4-methoxyperoxysulfanylphenyl)-7-phenyl-1,10-phenanthroline;ruthenium(2+)?

1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;4,7-diphenyl-1,10-phenanthroline;4-(4-methoxyperoxysulfanylphenyl)-7-phenyl-1,10-phenanthroline;ruthenium(2+) has a molecular weight of 1188.39 g/mol, XLogP of 19.68, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;4,7-diphenyl-1,10-phenanthroline;4-(4-methoxyperoxysulfanylphenyl)-7-phenyl-1,10-phenanthroline;ruthenium(2+) is sourced from PubChem (CID 59741897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).