acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-[4,7-diphenyl-2-(2-sulfidophenyl)pyrazino[2,3-f]quinoxaline-4,7-diium-9-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;tris(platinum(2+))

C128H100N16O4Pt4S2+2 — CID 159082083

IUPACacetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-[4,7-diphenyl-2-(2-sulfidophenyl)pyrazino[2,3-f]quinoxaline-4,7-diium-9-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;tris(platinum(2+))
SMILESCC(=O)[N-]c1ccccc1-c1cc(C(C)(C)C)c2ccc3c(C(C)(C)C)cc(-c4ccccc4[N-]C(C)=O)nc3c2n1.C[N-]c1ccccc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4ccccc4[N-]C)nc3c2n1.Oc1ccccc1-c1cncc(-c2cncc(-c3ccccc3O)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt].[S-]c1ccccc1-c1c[n+](-c2ccccc2)c2ccc3c(nc(-c4ccccc4[S-])c[n+]3-c3ccccc3)c2n1
InChIInChI=1S/C38H28N4.C36H38N4O2.C34H22N4S2.C20H14N4O2.4Pt/c1-39-33-19-11-9-17-29(33)35-23-31(25-13-5-3-6-14-25)27-21-22-28-32(26-15-7-4-8-16-26)24-36(42-38(28)37(27)41-35)30-18-10-12-20-34(30)40-2;1-21(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;39-31-17-9-7-15-25(31)27-21-37(23-11-3-1-4-12-23)29-19-20-30-34(33(29)35-27)36-28(26-16-8-10-18-32(26)40)22-38(30)24-13-5-2-6-14-24;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;;;;/h3-24H,1-2H3;9-20H,1-8H3,(H2,37,38,39,40,41,42);1-22H;1-12,25-26H;;;;/q-2;;;;;3*+2/p-2
InChIKeyIDJILUDYMVGNMA-UHFFFAOYSA-L
MW2770.76 g/mol
LogP30.69
Rot. Bonds17

About acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-[4,7-diphenyl-2-(2-sulfidophenyl)pyrazino[2,3-f]quinoxaline-4,7-diium-9-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;tris(platinum(2+))

acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-[4,7-diphenyl-2-(2-sulfidophenyl)pyrazino[2,3-f]quinoxaline-4,7-diium-9-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;tris(platinum(2+)) (PubChem CID 159082083) has the molecular formula C128H100N16O4Pt4S2+2 and a molecular weight of 2770.76 g/mol. Its IUPAC name is acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-[4,7-diphenyl-2-(2-sulfidophenyl)pyrazino[2,3-f]quinoxaline-4,7-diium-9-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;tris(platinum(2+)).

Molecular Properties

Compound Nameacetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-[4,7-diphenyl-2-(2-sulfidophenyl)pyrazino[2,3-f]quinoxaline-4,7-diium-9-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;tris(platinum(2+))
PubChem CID159082083
Molecular FormulaC128H100N16O4Pt4S2+2
Molecular Weight2770.76 g/mol
Exact Mass2768.61
IUPAC Nameacetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-[4,7-diphenyl-2-(2-sulfidophenyl)pyrazino[2,3-f]quinoxaline-4,7-diium-9-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;tris(platinum(2+))
SMILESCC(=O)[N-]c1ccccc1-c1cc(C(C)(C)C)c2ccc3c(C(C)(C)C)cc(-c4ccccc4[N-]C(C)=O)nc3c2n1.C[N-]c1ccccc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4ccccc4[N-]C)nc3c2n1.Oc1ccccc1-c1cncc(-c2cncc(-c3ccccc3O)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt].[S-]c1ccccc1-c1c[n+](-c2ccccc2)c2ccc3c(nc(-c4ccccc4[S-])c[n+]3-c3ccccc3)c2n1
InChIInChI=1S/C38H28N4.C36H38N4O2.C34H22N4S2.C20H14N4O2.4Pt/c1-39-33-19-11-9-17-29(33)35-23-31(25-13-5-3-6-14-25)27-21-22-28-32(26-15-7-4-8-16-26)24-36(42-38(28)37(27)41-35)30-18-10-12-20-34(30)40-2;1-21(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;39-31-17-9-7-15-25(31)27-21-37(23-11-3-1-4-12-23)29-19-20-30-34(33(29)35-27)36-28(26-16-8-10-18-32(26)40)22-38(30)24-13-5-2-6-14-24;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;;;;/h3-24H,1-2H3;9-20H,1-8H3,(H2,37,38,39,40,41,42);1-22H;1-12,25-26H;;;;/q-2;;;;;3*+2/p-2
InChIKeyIDJILUDYMVGNMA-UHFFFAOYSA-L
XLogP30.69
TPSA267.66 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002770.76
LogP ≤ 530.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-[4,7-diphenyl-2-(2-sulfidophenyl)pyrazino[2,3-f]quinoxaline-4,7-diium-9-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;tris(platinum(2+)) with MolForge

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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-[4,7-diphenyl-2-(2-sulfidophenyl)pyrazino[2,3-f]quinoxaline-4,7-diium-9-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;tris(platinum(2+))?
The IUPAC name of acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-[4,7-diphenyl-2-(2-sulfidophenyl)pyrazino[2,3-f]quinoxaline-4,7-diium-9-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;tris(platinum(2+)) (CID 159082083) is acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-[4,7-diphenyl-2-(2-sulfidophenyl)pyrazino[2,3-f]quinoxaline-4,7-diium-9-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;tris(platinum(2+)).
What is the SMILES notation for acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-[4,7-diphenyl-2-(2-sulfidophenyl)pyrazino[2,3-f]quinoxaline-4,7-diium-9-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;tris(platinum(2+))?
The canonical SMILES for acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-[4,7-diphenyl-2-(2-sulfidophenyl)pyrazino[2,3-f]quinoxaline-4,7-diium-9-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;tris(platinum(2+)) is CC(=O)[N-]c1ccccc1-c1cc(C(C)(C)C)c2ccc3c(C(C)(C)C)cc(-c4ccccc4[N-]C(C)=O)nc3c2n1.C[N-]c1ccccc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4ccccc4[N-]C)nc3c2n1.Oc1ccccc1-c1cncc(-c2cncc(-c3ccccc3O)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt].[S-]c1ccccc1-c1c[n+](-c2ccccc2)c2ccc3c(nc(-c4ccccc4[S-])c[n+]3-c3ccccc3)c2n1.
What is the InChIKey of acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-[4,7-diphenyl-2-(2-sulfidophenyl)pyrazino[2,3-f]quinoxaline-4,7-diium-9-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;tris(platinum(2+))?
The InChIKey is IDJILUDYMVGNMA-UHFFFAOYSA-L. The full InChI is InChI=1S/C38H28N4.C36H38N4O2.C34H22N4S2.C20H14N4O2.4Pt/c1-39-33-19-11-9-17-29(33)35-23-31(25-13-5-3-6-14-25)27-21-22-28-32(26-15-7-4-8-16-26)24-36(42-38(28)37(27)41-35)30-18-10-12-20-34(30)40-2;1-21(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;39-31-17-9-7-15-25(31)27-21-37(23-11-3-1-4-12-23)29-19-20-30-34(33(29)35-27)36-28(26-16-8-10-18-32(26)40)22-38(30)24-13-5-2-6-14-24;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;;;;/h3-24H,1-2H3;9-20H,1-8H3,(H2,37,38,39,40,41,42);1-22H;1-12,25-26H;;;;/q-2;;;;;3*+2/p-2.
What are the key properties of acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-[4,7-diphenyl-2-(2-sulfidophenyl)pyrazino[2,3-f]quinoxaline-4,7-diium-9-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;tris(platinum(2+))?
acetyl-[2-[9-(2-acetylazanidylphenyl)-4,7-ditert-butyl-1,10-phenanthrolin-2-yl]phenyl]azanide;2-[4,7-diphenyl-2-(2-sulfidophenyl)pyrazino[2,3-f]quinoxaline-4,7-diium-9-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;tris(platinum(2+)) has a molecular weight of 2770.76 g/mol, XLogP of 30.69, 17 rotatable bonds, 2 hydrogen bond donors, and 16 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-[4,7-diphenyl-2-(2-sulfidophenyl)pyrazino[2,3-f]quinoxaline-4,7-diium-9-yl]benzenethiolate;2-[6-[6-(2-hydroxyphenyl)pyrazin-2-yl]pyrazin-2-yl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;tris(platinum(2+)) is sourced from PubChem (CID 159082083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).