2-[4,7-diphenyl-9-(2-sulfidophenyl)-1,10-phenanthrolin-2-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[[6-(2-hydroxyphenyl)-2-pyridinyl]-methylamino]-2-pyridinyl]phenol;platinum;bis(platinum(2+));2-[6-[2-[6-(2-sulfidophenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzenethiolate

C132H96N14O6Pt5S4 — CID 157429659

IUPAC2-[4,7-diphenyl-9-(2-sulfidophenyl)-1,10-phenanthrolin-2-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[[6-(2-hydroxyphenyl)-2-pyridinyl]-methylamino]-2-pyridinyl]phenol;platinum;bis(platinum(2+));2-[6-[2-[6-(2-sulfidophenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzenethiolate
SMILESCC(C)(c1cccc(-c2ccccc2[S-])n1)c1cccc(-c2ccccc2[S-])n1.CN(c1cccc(-c2ccccc2O)n1)c1cccc(-c2ccccc2O)n1.Oc1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3ccccc3O)n2)n1.Oc1ccccc1-c1cncc(-c2cncc(-c3ccccc3O)n2)n1.[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[S-]c1ccccc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4ccccc4[S-])nc3c2n1
InChIInChI=1S/C36H24N2S2.C28H21N3O2.C25H22N2S2.C23H19N3O2.C20H14N4O2.5Pt/c39-33-17-9-7-15-27(33)31-21-29(23-11-3-1-4-12-23)25-19-20-26-30(24-13-5-2-6-14-24)22-32(38-36(26)35(25)37-31)28-16-8-10-18-34(28)40;32-25-16-6-4-12-21(25)23-14-8-18-27(29-23)31(20-10-2-1-3-11-20)28-19-9-15-24(30-28)22-13-5-7-17-26(22)33;1-25(2,23-15-7-11-19(26-23)17-9-3-5-13-21(17)28)24-16-8-12-20(27-24)18-10-4-6-14-22(18)29;1-26(22-14-6-10-18(24-22)16-8-2-4-12-20(16)27)23-15-7-11-19(25-23)17-9-3-5-13-21(17)28;25-19-7-3-1-5-13(19)15-9-21-11-17(23-15)18-12-22-10-16(24-18)14-6-2-4-8-20(14)26;;;;;/h1-22,39-40H;1-19,32-33H;3-16,28-29H,1-2H3;2-15,27-28H,1H3;1-12,25-26H;;;;;/q;;;;;;;;2*+2/p-4
InChIKeySTKNQHLFJDMUFG-UHFFFAOYSA-J
MW3077.97 g/mol
LogP30.56
Rot. Bonds20

About 2-[4,7-diphenyl-9-(2-sulfidophenyl)-1,10-phenanthrolin-2-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[[6-(2-hydroxyphenyl)-2-pyridinyl]-methylamino]-2-pyridinyl]phenol;platinum;bis(platinum(2+));2-[6-[2-[6-(2-sulfidophenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzenethiolate

2-[4,7-diphenyl-9-(2-sulfidophenyl)-1,10-phenanthrolin-2-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[[6-(2-hydroxyphenyl)-2-pyridinyl]-methylamino]-2-pyridinyl]phenol;platinum;bis(platinum(2+));2-[6-[2-[6-(2-sulfidophenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzenethiolate (PubChem CID 157429659) has the molecular formula C132H96N14O6Pt5S4 and a molecular weight of 3077.97 g/mol. Its IUPAC name is 2-[4,7-diphenyl-9-(2-sulfidophenyl)-1,10-phenanthrolin-2-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[[6-(2-hydroxyphenyl)-2-pyridinyl]-methylamino]-2-pyridinyl]phenol;platinum;bis(platinum(2+));2-[6-[2-[6-(2-sulfidophenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzenethiolate.

Molecular Properties

Compound Name2-[4,7-diphenyl-9-(2-sulfidophenyl)-1,10-phenanthrolin-2-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[[6-(2-hydroxyphenyl)-2-pyridinyl]-methylamino]-2-pyridinyl]phenol;platinum;bis(platinum(2+));2-[6-[2-[6-(2-sulfidophenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzenethiolate
PubChem CID157429659
Molecular FormulaC132H96N14O6Pt5S4
Molecular Weight3077.97 g/mol
Exact Mass3075.48
IUPAC Name2-[4,7-diphenyl-9-(2-sulfidophenyl)-1,10-phenanthrolin-2-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[[6-(2-hydroxyphenyl)-2-pyridinyl]-methylamino]-2-pyridinyl]phenol;platinum;bis(platinum(2+));2-[6-[2-[6-(2-sulfidophenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzenethiolate
SMILESCC(C)(c1cccc(-c2ccccc2[S-])n1)c1cccc(-c2ccccc2[S-])n1.CN(c1cccc(-c2ccccc2O)n1)c1cccc(-c2ccccc2O)n1.Oc1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3ccccc3O)n2)n1.Oc1ccccc1-c1cncc(-c2cncc(-c3ccccc3O)n2)n1.[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[S-]c1ccccc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4ccccc4[S-])nc3c2n1
InChIInChI=1S/C36H24N2S2.C28H21N3O2.C25H22N2S2.C23H19N3O2.C20H14N4O2.5Pt/c39-33-17-9-7-15-27(33)31-21-29(23-11-3-1-4-12-23)25-19-20-26-30(24-13-5-2-6-14-24)22-32(38-36(26)35(25)37-31)28-16-8-10-18-34(28)40;32-25-16-6-4-12-21(25)23-14-8-18-27(29-23)31(20-10-2-1-3-11-20)28-19-9-15-24(30-28)22-13-5-7-17-26(22)33;1-25(2,23-15-7-11-19(26-23)17-9-3-5-13-21(17)28)24-16-8-12-20(27-24)18-10-4-6-14-22(18)29;1-26(22-14-6-10-18(24-22)16-8-2-4-12-20(16)27)23-15-7-11-19(25-23)17-9-3-5-13-21(17)28;25-19-7-3-1-5-13(19)15-9-21-11-17(23-15)18-12-22-10-16(24-18)14-6-2-4-8-20(14)26;;;;;/h1-22,39-40H;1-19,32-33H;3-16,28-29H,1-2H3;2-15,27-28H,1H3;1-12,25-26H;;;;;/q;;;;;;;;2*+2/p-4
InChIKeySTKNQHLFJDMUFG-UHFFFAOYSA-J
XLogP30.56
TPSA282.54 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003077.97
LogP ≤ 530.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2-[4,7-diphenyl-9-(2-sulfidophenyl)-1,10-phenanthrolin-2-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[[6-(2-hydroxyphenyl)-2-pyridinyl]-methylamino]-2-pyridinyl]phenol;platinum;bis(platinum(2+));2-[6-[2-[6-(2-sulfidophenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzenethiolate with MolForge

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Related Compounds

2-[9-[6-(5-Phenylindolo[3,2-b]carbazol-11-yl)pyrimidin-4-yl]-1,10-phenanthrolin-2-yl]phenol
CID 137255019
2,4-Ditert-butyl-6-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 140831997
2-[4-[3-(3,5-Ditert-butylphenyl)-5-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum
CID 140902933
2-[4-[3-Tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum
CID 141696884
2-[6-tert-butyl-1-(3,5-ditert-butylphenyl)-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
CID 145768282
2-[4-[2,4-Ditert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
CID 145768326
2-[6-tert-butyl-1-(3,5-ditert-butylphenyl)-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum
CID 145768332
2-[4-[3-(4-Tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum
CID 145768356
2-[4-[3-(4-Tert-butyl-2-pyridinyl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
CID 145768476
2-[1-(2,6-Ditert-butylphenyl)-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 145768486
2-[4-(2,4-Ditert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;platinum
CID 145768496
2-[4-[3-Tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-5-phenylphenol;platinum
CID 145768510

Frequently Asked Questions

What is the IUPAC name of 2-[4,7-diphenyl-9-(2-sulfidophenyl)-1,10-phenanthrolin-2-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[[6-(2-hydroxyphenyl)-2-pyridinyl]-methylamino]-2-pyridinyl]phenol;platinum;bis(platinum(2+));2-[6-[2-[6-(2-sulfidophenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzenethiolate?
The IUPAC name of 2-[4,7-diphenyl-9-(2-sulfidophenyl)-1,10-phenanthrolin-2-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[[6-(2-hydroxyphenyl)-2-pyridinyl]-methylamino]-2-pyridinyl]phenol;platinum;bis(platinum(2+));2-[6-[2-[6-(2-sulfidophenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzenethiolate (CID 157429659) is 2-[4,7-diphenyl-9-(2-sulfidophenyl)-1,10-phenanthrolin-2-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[[6-(2-hydroxyphenyl)-2-pyridinyl]-methylamino]-2-pyridinyl]phenol;platinum;bis(platinum(2+));2-[6-[2-[6-(2-sulfidophenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzenethiolate.
What is the SMILES notation for 2-[4,7-diphenyl-9-(2-sulfidophenyl)-1,10-phenanthrolin-2-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[[6-(2-hydroxyphenyl)-2-pyridinyl]-methylamino]-2-pyridinyl]phenol;platinum;bis(platinum(2+));2-[6-[2-[6-(2-sulfidophenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzenethiolate?
The canonical SMILES for 2-[4,7-diphenyl-9-(2-sulfidophenyl)-1,10-phenanthrolin-2-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[[6-(2-hydroxyphenyl)-2-pyridinyl]-methylamino]-2-pyridinyl]phenol;platinum;bis(platinum(2+));2-[6-[2-[6-(2-sulfidophenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzenethiolate is CC(C)(c1cccc(-c2ccccc2[S-])n1)c1cccc(-c2ccccc2[S-])n1.CN(c1cccc(-c2ccccc2O)n1)c1cccc(-c2ccccc2O)n1.Oc1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3ccccc3O)n2)n1.Oc1ccccc1-c1cncc(-c2cncc(-c3ccccc3O)n2)n1.[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[S-]c1ccccc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4ccccc4[S-])nc3c2n1.
What is the InChIKey of 2-[4,7-diphenyl-9-(2-sulfidophenyl)-1,10-phenanthrolin-2-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[[6-(2-hydroxyphenyl)-2-pyridinyl]-methylamino]-2-pyridinyl]phenol;platinum;bis(platinum(2+));2-[6-[2-[6-(2-sulfidophenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzenethiolate?
The InChIKey is STKNQHLFJDMUFG-UHFFFAOYSA-J. The full InChI is InChI=1S/C36H24N2S2.C28H21N3O2.C25H22N2S2.C23H19N3O2.C20H14N4O2.5Pt/c39-33-17-9-7-15-27(33)31-21-29(23-11-3-1-4-12-23)25-19-20-26-30(24-13-5-2-6-14-24)22-32(38-36(26)35(25)37-31)28-16-8-10-18-34(28)40;32-25-16-6-4-12-21(25)23-14-8-18-27(29-23)31(20-10-2-1-3-11-20)28-19-9-15-24(30-28)22-13-5-7-17-26(22)33;1-25(2,23-15-7-11-19(26-23)17-9-3-5-13-21(17)28)24-16-8-12-20(27-24)18-10-4-6-14-22(18)29;1-26(22-14-6-10-18(24-22)16-8-2-4-12-20(16)27)23-15-7-11-19(25-23)17-9-3-5-13-21(17)28;25-19-7-3-1-5-13(19)15-9-21-11-17(23-15)18-12-22-10-16(24-18)14-6-2-4-8-20(14)26;;;;;/h1-22,39-40H;1-19,32-33H;3-16,28-29H,1-2H3;2-15,27-28H,1H3;1-12,25-26H;;;;;/q;;;;;;;;2*+2/p-4.
What are the key properties of 2-[4,7-diphenyl-9-(2-sulfidophenyl)-1,10-phenanthrolin-2-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[[6-(2-hydroxyphenyl)-2-pyridinyl]-methylamino]-2-pyridinyl]phenol;platinum;bis(platinum(2+));2-[6-[2-[6-(2-sulfidophenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzenethiolate?
2-[4,7-diphenyl-9-(2-sulfidophenyl)-1,10-phenanthrolin-2-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[[6-(2-hydroxyphenyl)-2-pyridinyl]-methylamino]-2-pyridinyl]phenol;platinum;bis(platinum(2+));2-[6-[2-[6-(2-sulfidophenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzenethiolate has a molecular weight of 3077.97 g/mol, XLogP of 30.56, 20 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,7-diphenyl-9-(2-sulfidophenyl)-1,10-phenanthrolin-2-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[[6-(2-hydroxyphenyl)-2-pyridinyl]-methylamino]-2-pyridinyl]phenol;platinum;bis(platinum(2+));2-[6-[2-[6-(2-sulfidophenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzenethiolate is sourced from PubChem (CID 157429659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).