acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;2-[diphenyl-(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine;2-[2-[4-(2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate

C139H108N18O8Pt5S2 — CID 157285767

About acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;2-[diphenyl-(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine;2-[2-[4-(2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate

acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;2-[diphenyl-(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine;2-[2-[4-(2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate (PubChem CID 157285767) has the molecular formula C139H108N18O8Pt5S2 and a molecular weight of 3198.03 g/mol. Its IUPAC name is acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;2-[diphenyl-(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine;2-[2-[4-(2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate.

Molecular Properties

• Compound Name: acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;2-[diphenyl-(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine;2-[2-[4-(2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate
• PubChem CID: 157285767
• Molecular Formula: C139H108N18O8Pt5S2
• Molecular Weight: 3198.03 g/mol
• Exact Mass: 3195.63
• IUPAC Name: acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;2-[diphenyl-(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine;2-[2-[4-(2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate
• SMILES: CC(=O)[N-]c1ccccc1-c1cc(C(C)(C)C)c2ccc3c(C(C)(C)C)cc(-c4ccccc4[N-]C(C)=O)nc3c2n1.Cn1c(-c2nc3c(C(=O)O)cccc3n2C)nc2c(C(=O)O)cccc21.Oc1ccccc1-c1cn(-c2ccccc2)c(-c2nc(-c3ccccc3O)cn2-c2ccccc2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].[S-]c1ccccc1-c1ccnc(-c2nccc(-c3ccccc3[S-])n2)n1.[c-]1ccccc1-c1cccc(C(c2ccccc2)(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1
• InChI: InChI=1S/C36H38N4O2.C35H24N2.C30H22N4O2.C20H14N4S2.C18H14N4O4.5Pt/c1-21(41)37-29-15-11-9-13-25(29)31-19-27(35(3,4)5)23-17-18-24-28(36(6,7)8)20-32(40-34(24)33(23)39-31)26-14-10-12-16-30(26)38-22(2)42;1-5-15-27(16-6-1)31-23-13-25-33(36-31)35(29-19-9-3-10-20-29,30-21-11-4-12-22-30)34-26-14-24-32(37-34)28-17-7-2-8-18-28;35-27-17-9-7-15-23(27)25-19-33(21-11-3-1-4-12-21)29(31-25)30-32-26(24-16-8-10-18-28(24)36)20-34(30)22-13-5-2-6-14-22;25-17-7-3-1-5-13(17)15-9-11-21-19(23-15)20-22-12-10-16(24-20)14-6-2-4-8-18(14)26;1-21-11-7-3-5-9(17(23)24)13(11)19-15(21)16-20-14-10(18(25)26)6-4-8-12(14)22(16)2;;;;;/h9-20H,1-8H3,(H2,37,38,39,40,41,42);1-15,17,19-26H;1-20,35-36H;1-12,25-26H;3-8H,1-2H3,(H,23,24)(H,25,26);;;;;/q;-2;;;;;;3*+2/p-4
• InChIKey: NNUDQTBAZNRDGE-UHFFFAOYSA-J
• XLogP: 30.67
• TPSA: 351.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3198.03
LogP ≤ 5	30.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;2-[diphenyl-(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine;2-[2-[4-(2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate?

The IUPAC name of acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;2-[diphenyl-(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine;2-[2-[4-(2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate (CID 157285767) is acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;2-[diphenyl-(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine;2-[2-[4-(2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate.

What is the SMILES notation for acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;2-[diphenyl-(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine;2-[2-[4-(2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate?

The canonical SMILES for acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;2-[diphenyl-(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine;2-[2-[4-(2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate is CC(=O)[N-]c1ccccc1-c1cc(C(C)(C)C)c2ccc3c(C(C)(C)C)cc(-c4ccccc4[N-]C(C)=O)nc3c2n1.Cn1c(-c2nc3c(C(=O)O)cccc3n2C)nc2c(C(=O)O)cccc21.Oc1ccccc1-c1cn(-c2ccccc2)c(-c2nc(-c3ccccc3O)cn2-c2ccccc2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].[S-]c1ccccc1-c1ccnc(-c2nccc(-c3ccccc3[S-])n2)n1.[c-]1ccccc1-c1cccc(C(c2ccccc2)(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.

What is the InChIKey of acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;2-[diphenyl-(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine;2-[2-[4-(2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate?

The InChIKey is NNUDQTBAZNRDGE-UHFFFAOYSA-J. The full InChI is InChI=1S/C36H38N4O2.C35H24N2.C30H22N4O2.C20H14N4S2.C18H14N4O4.5Pt/c1-21(41)37-29-15-11-9-13-25(29)31-19-27(35(3,4)5)23-17-18-24-28(36(6,7)8)20-32(40-34(24)33(23)39-31)26-14-10-12-16-30(26)38-22(2)42;1-5-15-27(16-6-1)31-23-13-25-33(36-31)35(29-19-9-3-10-20-29,30-21-11-4-12-22-30)34-26-14-24-32(37-34)28-17-7-2-8-18-28;35-27-17-9-7-15-23(27)25-19-33(21-11-3-1-4-12-21)29(31-25)30-32-26(24-16-8-10-18-28(24)36)20-34(30)22-13-5-2-6-14-22;25-17-7-3-1-5-13(17)15-9-11-21-19(23-15)20-22-12-10-16(24-20)14-6-2-4-8-18(14)26;1-21-11-7-3-5-9(17(23)24)13(11)19-15(21)16-20-14-10(18(25)26)6-4-8-12(14)22(16)2;;;;;/h9-20H,1-8H3,(H2,37,38,39,40,41,42);1-15,17,19-26H;1-20,35-36H;1-12,25-26H;3-8H,1-2H3,(H,23,24)(H,25,26);;;;;/q;-2;;;;;;3*+2/p-4.

What are the key properties of acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;2-[diphenyl-(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine;2-[2-[4-(2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate?

acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;2-[diphenyl-(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine;2-[2-[4-(2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate has a molecular weight of 3198.03 g/mol, XLogP of 30.67, 21 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;2-[diphenyl-(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine;2-[2-[4-(2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate is sourced from PubChem (CID 157285767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).