chloroplatinum;chloroplatinum(1+);1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-3-ium-2-ide;bis(1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-ide);4-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-3,5-dimethyl-1,2-oxazole

C112H89Cl4N29OPt4-3 — CID 157290772

About chloroplatinum;chloroplatinum(1+);1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-3-ium-2-ide;bis(1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-ide);4-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-3,5-dimethyl-1,2-oxazole

chloroplatinum;chloroplatinum(1+);1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-3-ium-2-ide;bis(1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-ide);4-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 157290772) has the molecular formula C112H89Cl4N29OPt4-3 and a molecular weight of 2779.27 g/mol. Its IUPAC name is chloroplatinum;chloroplatinum(1+);1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-3-ium-2-ide;bis(1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-ide);4-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: chloroplatinum;chloroplatinum(1+);1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-3-ium-2-ide;bis(1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-ide);4-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-3,5-dimethyl-1,2-oxazole
• PubChem CID: 157290772
• Molecular Formula: C112H89Cl4N29OPt4-3
• Molecular Weight: 2779.27 g/mol
• Exact Mass: 2775.52
• IUPAC Name: chloroplatinum;chloroplatinum(1+);1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-3-ium-2-ide;bis(1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-ide);4-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-3,5-dimethyl-1,2-oxazole
• SMILES: Cc1nn(-c2ccccc2)c(C)c1-c1cc(-n2[c-][n+](C)c3ccccc32)[c-]c(-n2[c-][n+](C)c3ccccc32)c1.Cc1nn(-c2ccccc2)c(C)c1-c1cc(-n2[c-][n+](C)c3nccnc32)[c-]c(-n2[c-][n+](C)c3nccnc32)c1.Cc1nn(-c2ccccc2)c(C)c1-c1cc(-n2[c-][n+](C)c3nccnc32)[c-]c(-n2[c-][n+](C)c3nccnc32)c1.Cc1noc(C)c1-c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.Cl[Pt+].Cl[Pt].Cl[Pt].Cl[Pt]
• InChI: InChI=1S/C33H27N6.2C29H23N10.C21H16N3O.4ClH.4Pt/c1-23-33(24(2)39(34-23)26-12-6-5-7-13-26)25-18-27(37-21-35(3)29-14-8-10-16-31(29)37)20-28(19-25)38-22-36(4)30-15-9-11-17-32(30)38;2*1-19-25(20(2)39(34-19)22-8-6-5-7-9-22)21-14-23(37-17-35(3)26-28(37)32-12-10-30-26)16-24(15-21)38-18-36(4)27-29(38)33-13-11-31-27;1-14-21(15(2)25-24-14)18-12-16(19-7-3-5-9-22-19)11-17(13-18)20-8-4-6-10-23-20;;;;;;;;/h5-19H,1-4H3;2*5-15H,1-4H3;3-10,12-13H,1-2H3;4*1H;;;;/q4*-1;;;;;3*+1;+2/p-4
• InChIKey: WCKFAPOWLHXXIK-UHFFFAOYSA-J
• XLogP: 18.07
• TPSA: 261.25 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2779.27
LogP ≤ 5	18.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of chloroplatinum;chloroplatinum(1+);1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-3-ium-2-ide;bis(1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-ide);4-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-3,5-dimethyl-1,2-oxazole?

The IUPAC name of chloroplatinum;chloroplatinum(1+);1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-3-ium-2-ide;bis(1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-ide);4-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-3,5-dimethyl-1,2-oxazole (CID 157290772) is chloroplatinum;chloroplatinum(1+);1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-3-ium-2-ide;bis(1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-ide);4-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for chloroplatinum;chloroplatinum(1+);1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-3-ium-2-ide;bis(1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-ide);4-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for chloroplatinum;chloroplatinum(1+);1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-3-ium-2-ide;bis(1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-ide);4-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-3,5-dimethyl-1,2-oxazole is Cc1nn(-c2ccccc2)c(C)c1-c1cc(-n2[c-][n+](C)c3ccccc32)[c-]c(-n2[c-][n+](C)c3ccccc32)c1.Cc1nn(-c2ccccc2)c(C)c1-c1cc(-n2[c-][n+](C)c3nccnc32)[c-]c(-n2[c-][n+](C)c3nccnc32)c1.Cc1nn(-c2ccccc2)c(C)c1-c1cc(-n2[c-][n+](C)c3nccnc32)[c-]c(-n2[c-][n+](C)c3nccnc32)c1.Cc1noc(C)c1-c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.Cl[Pt+].Cl[Pt].Cl[Pt].Cl[Pt].

What is the InChIKey of chloroplatinum;chloroplatinum(1+);1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-3-ium-2-ide;bis(1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-ide);4-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-3,5-dimethyl-1,2-oxazole?

The InChIKey is WCKFAPOWLHXXIK-UHFFFAOYSA-J. The full InChI is InChI=1S/C33H27N6.2C29H23N10.C21H16N3O.4ClH.4Pt/c1-23-33(24(2)39(34-23)26-12-6-5-7-13-26)25-18-27(37-21-35(3)29-14-8-10-16-31(29)37)20-28(19-25)38-22-36(4)30-15-9-11-17-32(30)38;2*1-19-25(20(2)39(34-19)22-8-6-5-7-9-22)21-14-23(37-17-35(3)26-28(37)32-12-10-30-26)16-24(15-21)38-18-36(4)27-29(38)33-13-11-31-27;1-14-21(15(2)25-24-14)18-12-16(19-7-3-5-9-22-19)11-17(13-18)20-8-4-6-10-23-20;;;;;;;;/h5-19H,1-4H3;2*5-15H,1-4H3;3-10,12-13H,1-2H3;4*1H;;;;/q4*-1;;;;;3*+1;+2/p-4.

What are the key properties of chloroplatinum;chloroplatinum(1+);1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-3-ium-2-ide;bis(1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-ide);4-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-3,5-dimethyl-1,2-oxazole?

chloroplatinum;chloroplatinum(1+);1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-3-ium-2-ide;bis(1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-ide);4-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 2779.27 g/mol, XLogP of 18.07, 15 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for chloroplatinum;chloroplatinum(1+);1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-3-ium-2-ide;bis(1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazo[4,5-b]pyrazin-3-ium-2-ide);4-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 157290772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).