2-(3H-1-benzothiophen-3-id-2-yl)pyridine;1-methyl-3-phenyl-2H-benzimidazol-2-ide;5H-phenanthro[9,10-b]pyrazin-5-ide;tetrakis(4-phenylimidazo[1,2-a]benzimidazole);platinum;tris(platinum(2+));2-pyridin-2-ylbenzimidazol-1-ide

C115H77N20Pt4S-3 — CID 160644542

IUPAC2-(3H-1-benzothiophen-3-id-2-yl)pyridine;1-methyl-3-phenyl-2H-benzimidazol-2-ide;5H-phenanthro[9,10-b]pyrazin-5-ide;tetrakis(4-phenylimidazo[1,2-a]benzimidazole);platinum;tris(platinum(2+));2-pyridin-2-ylbenzimidazol-1-ide
SMILESCN1[CH-]N(c2[c-]cccc2)c2ccccc21.[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1cccc2c1c1nccnc1c1ccccc21.[c-]1ccccc1-n1c2ccccc2n2ccnc12.[c-]1ccccc1-n1c2ccccc2n2ccnc12.[c-]1ccccc1-n1c2ccccc2n2ccnc12.[c-]1ccccc1-n1c2ccccc2n2ccnc12.c1ccc(-c2nc3ccccc3[n-]2)nc1
InChIInChI=1S/C16H9N2.4C15H10N3.C14H12N2.C13H8NS.C12H8N3.4Pt/c1-3-7-13-11(5-1)12-6-2-4-8-14(12)16-15(13)17-9-10-18-16;4*1-2-6-12(7-3-1)18-14-9-5-4-8-13(14)17-11-10-16-15(17)18;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;;;;/h1-7,9-10H;4*1-6,8-11H;2-7,9-11H,1H3;2*1-8H;;;;/q5*-1;-2;2*-1;;3*+2
InChIKeyYNJOBNAXGNKJFK-UHFFFAOYSA-N
MW2551.40 g/mol
LogP25.25
Rot. Bonds7

About 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;1-methyl-3-phenyl-2H-benzimidazol-2-ide;5H-phenanthro[9,10-b]pyrazin-5-ide;tetrakis(4-phenylimidazo[1,2-a]benzimidazole);platinum;tris(platinum(2+));2-pyridin-2-ylbenzimidazol-1-ide

2-(3H-1-benzothiophen-3-id-2-yl)pyridine;1-methyl-3-phenyl-2H-benzimidazol-2-ide;5H-phenanthro[9,10-b]pyrazin-5-ide;tetrakis(4-phenylimidazo[1,2-a]benzimidazole);platinum;tris(platinum(2+));2-pyridin-2-ylbenzimidazol-1-ide (PubChem CID 160644542) has the molecular formula C115H77N20Pt4S-3 and a molecular weight of 2551.40 g/mol. Its IUPAC name is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;1-methyl-3-phenyl-2H-benzimidazol-2-ide;5H-phenanthro[9,10-b]pyrazin-5-ide;tetrakis(4-phenylimidazo[1,2-a]benzimidazole);platinum;tris(platinum(2+));2-pyridin-2-ylbenzimidazol-1-ide.

Molecular Properties

Compound Name2-(3H-1-benzothiophen-3-id-2-yl)pyridine;1-methyl-3-phenyl-2H-benzimidazol-2-ide;5H-phenanthro[9,10-b]pyrazin-5-ide;tetrakis(4-phenylimidazo[1,2-a]benzimidazole);platinum;tris(platinum(2+));2-pyridin-2-ylbenzimidazol-1-ide
PubChem CID160644542
Molecular FormulaC115H77N20Pt4S-3
Molecular Weight2551.40 g/mol
Exact Mass2549.50
IUPAC Name2-(3H-1-benzothiophen-3-id-2-yl)pyridine;1-methyl-3-phenyl-2H-benzimidazol-2-ide;5H-phenanthro[9,10-b]pyrazin-5-ide;tetrakis(4-phenylimidazo[1,2-a]benzimidazole);platinum;tris(platinum(2+));2-pyridin-2-ylbenzimidazol-1-ide
SMILESCN1[CH-]N(c2[c-]cccc2)c2ccccc21.[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1cccc2c1c1nccnc1c1ccccc21.[c-]1ccccc1-n1c2ccccc2n2ccnc12.[c-]1ccccc1-n1c2ccccc2n2ccnc12.[c-]1ccccc1-n1c2ccccc2n2ccnc12.[c-]1ccccc1-n1c2ccccc2n2ccnc12.c1ccc(-c2nc3ccccc3[n-]2)nc1
InChIInChI=1S/C16H9N2.4C15H10N3.C14H12N2.C13H8NS.C12H8N3.4Pt/c1-3-7-13-11(5-1)12-6-2-4-8-14(12)16-15(13)17-9-10-18-16;4*1-2-6-12(7-3-1)18-14-9-5-4-8-13(14)17-11-10-16-15(17)18;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;;;;/h1-7,9-10H;4*1-6,8-11H;2-7,9-11H,1H3;2*1-8H;;;;/q5*-1;-2;2*-1;;3*+2
InChIKeyYNJOBNAXGNKJFK-UHFFFAOYSA-N
XLogP25.25
TPSA173.95 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds7
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002551.40
LogP ≤ 525.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;1-methyl-3-phenyl-2H-benzimidazol-2-ide;5H-phenanthro[9,10-b]pyrazin-5-ide;tetrakis(4-phenylimidazo[1,2-a]benzimidazole);platinum;tris(platinum(2+));2-pyridin-2-ylbenzimidazol-1-ide?
The IUPAC name of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;1-methyl-3-phenyl-2H-benzimidazol-2-ide;5H-phenanthro[9,10-b]pyrazin-5-ide;tetrakis(4-phenylimidazo[1,2-a]benzimidazole);platinum;tris(platinum(2+));2-pyridin-2-ylbenzimidazol-1-ide (CID 160644542) is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;1-methyl-3-phenyl-2H-benzimidazol-2-ide;5H-phenanthro[9,10-b]pyrazin-5-ide;tetrakis(4-phenylimidazo[1,2-a]benzimidazole);platinum;tris(platinum(2+));2-pyridin-2-ylbenzimidazol-1-ide.
What is the SMILES notation for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;1-methyl-3-phenyl-2H-benzimidazol-2-ide;5H-phenanthro[9,10-b]pyrazin-5-ide;tetrakis(4-phenylimidazo[1,2-a]benzimidazole);platinum;tris(platinum(2+));2-pyridin-2-ylbenzimidazol-1-ide?
The canonical SMILES for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;1-methyl-3-phenyl-2H-benzimidazol-2-ide;5H-phenanthro[9,10-b]pyrazin-5-ide;tetrakis(4-phenylimidazo[1,2-a]benzimidazole);platinum;tris(platinum(2+));2-pyridin-2-ylbenzimidazol-1-ide is CN1[CH-]N(c2[c-]cccc2)c2ccccc21.[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1cccc2c1c1nccnc1c1ccccc21.[c-]1ccccc1-n1c2ccccc2n2ccnc12.[c-]1ccccc1-n1c2ccccc2n2ccnc12.[c-]1ccccc1-n1c2ccccc2n2ccnc12.[c-]1ccccc1-n1c2ccccc2n2ccnc12.c1ccc(-c2nc3ccccc3[n-]2)nc1.
What is the InChIKey of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;1-methyl-3-phenyl-2H-benzimidazol-2-ide;5H-phenanthro[9,10-b]pyrazin-5-ide;tetrakis(4-phenylimidazo[1,2-a]benzimidazole);platinum;tris(platinum(2+));2-pyridin-2-ylbenzimidazol-1-ide?
The InChIKey is YNJOBNAXGNKJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N2.4C15H10N3.C14H12N2.C13H8NS.C12H8N3.4Pt/c1-3-7-13-11(5-1)12-6-2-4-8-14(12)16-15(13)17-9-10-18-16;4*1-2-6-12(7-3-1)18-14-9-5-4-8-13(14)17-11-10-16-15(17)18;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;;;;/h1-7,9-10H;4*1-6,8-11H;2-7,9-11H,1H3;2*1-8H;;;;/q5*-1;-2;2*-1;;3*+2.
What are the key properties of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;1-methyl-3-phenyl-2H-benzimidazol-2-ide;5H-phenanthro[9,10-b]pyrazin-5-ide;tetrakis(4-phenylimidazo[1,2-a]benzimidazole);platinum;tris(platinum(2+));2-pyridin-2-ylbenzimidazol-1-ide?
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;1-methyl-3-phenyl-2H-benzimidazol-2-ide;5H-phenanthro[9,10-b]pyrazin-5-ide;tetrakis(4-phenylimidazo[1,2-a]benzimidazole);platinum;tris(platinum(2+));2-pyridin-2-ylbenzimidazol-1-ide has a molecular weight of 2551.40 g/mol, XLogP of 25.25, 7 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;1-methyl-3-phenyl-2H-benzimidazol-2-ide;5H-phenanthro[9,10-b]pyrazin-5-ide;tetrakis(4-phenylimidazo[1,2-a]benzimidazole);platinum;tris(platinum(2+));2-pyridin-2-ylbenzimidazol-1-ide is sourced from PubChem (CID 160644542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).