tetrakis(chloroplatinum(1+));4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-2-(2-pyridin-2-yloxy-3H-thiophen-3-id-4-yl)pyridin-1-ium;9-(1-methylbenzimidazol-2-yl)-2-[1-methyl-4-(4-phenylphenyl)pyridin-1-ium-2-yl]-1H-carbazol-1-ide;1-methyl-4-(4-phenylphenyl)-2-(2-pyridin-2-yloxy-3H-furan-3-id-4-yl)pyridin-1-ium;1-methyl-4-(4-phenylphenyl)-2-(3-pyridin-2-yloxy-2H-pyrrol-1-ium-2-id-1-ylidene)pyridine

C121H93Cl4N11O4Pt4S+4 — CID 158948616

About tetrakis(chloroplatinum(1+));4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-2-(2-pyridin-2-yloxy-3H-thiophen-3-id-4-yl)pyridin-1-ium;9-(1-methylbenzimidazol-2-yl)-2-[1-methyl-4-(4-phenylphenyl)pyridin-1-ium-2-yl]-1H-carbazol-1-ide;1-methyl-4-(4-phenylphenyl)-2-(2-pyridin-2-yloxy-3H-furan-3-id-4-yl)pyridin-1-ium;1-methyl-4-(4-phenylphenyl)-2-(3-pyridin-2-yloxy-2H-pyrrol-1-ium-2-id-1-ylidene)pyridine

tetrakis(chloroplatinum(1+));4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-2-(2-pyridin-2-yloxy-3H-thiophen-3-id-4-yl)pyridin-1-ium;9-(1-methylbenzimidazol-2-yl)-2-[1-methyl-4-(4-phenylphenyl)pyridin-1-ium-2-yl]-1H-carbazol-1-ide;1-methyl-4-(4-phenylphenyl)-2-(2-pyridin-2-yloxy-3H-furan-3-id-4-yl)pyridin-1-ium;1-methyl-4-(4-phenylphenyl)-2-(3-pyridin-2-yloxy-2H-pyrrol-1-ium-2-id-1-ylidene)pyridine (PubChem CID 158948616) has the molecular formula C121H93Cl4N11O4Pt4S+4 and a molecular weight of 2719.34 g/mol. Its IUPAC name is tetrakis(chloroplatinum(1+));4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-2-(2-pyridin-2-yloxy-3H-thiophen-3-id-4-yl)pyridin-1-ium;9-(1-methylbenzimidazol-2-yl)-2-[1-methyl-4-(4-phenylphenyl)pyridin-1-ium-2-yl]-1H-carbazol-1-ide;1-methyl-4-(4-phenylphenyl)-2-(2-pyridin-2-yloxy-3H-furan-3-id-4-yl)pyridin-1-ium;1-methyl-4-(4-phenylphenyl)-2-(3-pyridin-2-yloxy-2H-pyrrol-1-ium-2-id-1-ylidene)pyridine.

Molecular Properties

• Compound Name: tetrakis(chloroplatinum(1+));4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-2-(2-pyridin-2-yloxy-3H-thiophen-3-id-4-yl)pyridin-1-ium;9-(1-methylbenzimidazol-2-yl)-2-[1-methyl-4-(4-phenylphenyl)pyridin-1-ium-2-yl]-1H-carbazol-1-ide;1-methyl-4-(4-phenylphenyl)-2-(2-pyridin-2-yloxy-3H-furan-3-id-4-yl)pyridin-1-ium;1-methyl-4-(4-phenylphenyl)-2-(3-pyridin-2-yloxy-2H-pyrrol-1-ium-2-id-1-ylidene)pyridine
• PubChem CID: 158948616
• Molecular Formula: C121H93Cl4N11O4Pt4S+4
• Molecular Weight: 2719.34 g/mol
• Exact Mass: 2715.45
• IUPAC Name: tetrakis(chloroplatinum(1+));4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-2-(2-pyridin-2-yloxy-3H-thiophen-3-id-4-yl)pyridin-1-ium;9-(1-methylbenzimidazol-2-yl)-2-[1-methyl-4-(4-phenylphenyl)pyridin-1-ium-2-yl]-1H-carbazol-1-ide;1-methyl-4-(4-phenylphenyl)-2-(2-pyridin-2-yloxy-3H-furan-3-id-4-yl)pyridin-1-ium;1-methyl-4-(4-phenylphenyl)-2-(3-pyridin-2-yloxy-2H-pyrrol-1-ium-2-id-1-ylidene)pyridine
• SMILES: C[n+]1ccc(-c2ccc(-c3ccccc3)cc2)cc1-c1[c-]c(Oc2ccccn2)oc1.Cc1cc(-c2ccccc2)cc(C)c1-c1cc[n+](C)c(-c2[c-]c(Oc3ccccn3)sc2)c1.Cl[Pt+].Cl[Pt+].Cl[Pt+].Cl[Pt+].Cn1c(-n2c3[c-]c(-c4cc(-c5ccc(-c6ccccc6)cc5)cc[n+]4C)ccc3c3ccccc32)nc2ccccc21.Cn1ccc(-c2ccc(-c3ccccc3)cc2)c/c1=[N+]1/[C-]=C(Oc2ccccn2)C=C1
• InChI: InChI=1S/C38H28N4.C29H24N2OS.C27H21N3O.C27H20N2O2.4ClH.4Pt/c1-40-23-22-29(28-18-16-27(17-19-28)26-10-4-3-5-11-26)24-36(40)30-20-21-32-31-12-6-8-14-34(31)42(37(32)25-30)38-39-33-13-7-9-15-35(33)41(38)2;1-20-15-24(22-9-5-4-6-10-22)16-21(2)29(20)23-12-14-31(3)26(17-23)25-18-28(33-19-25)32-27-11-7-8-13-30-27;1-29-17-14-24(23-12-10-22(11-13-23)21-7-3-2-4-8-21)19-27(29)30-18-15-25(20-30)31-26-9-5-6-16-28-26;1-29-16-14-23(22-12-10-21(11-13-22)20-7-3-2-4-8-20)17-25(29)24-18-27(30-19-24)31-26-9-5-6-15-28-26;;;;;;;;/h3-24H,1-2H3;4-17,19H,1-3H3;2-19H,1H3;2-17,19H,1H3;4*1H;;;;/q;;;;;;;;4*+2/p-4
• InChIKey: FPQSUAKUAZXZKD-UHFFFAOYSA-J
• XLogP: 29.09
• TPSA: 121.83 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2719.34
LogP ≤ 5	29.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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 tetrakis(chloroplatinum(1+));4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-2-(2-pyridin-2-yloxy-3H-thiophen-3-id-4-yl)pyridin-1-ium;9-(1-methylbenzimidazol-2-yl)-2-[1-methyl-4-(4-phenylphenyl)pyridin-1-ium-2-yl]-1H-carbazol-1-ide;1-methyl-4-(4-phenylphenyl)-2-(2-pyridin-2-yloxy-3H-furan-3-id-4-yl)pyridin-1-ium;1-methyl-4-(4-phenylphenyl)-2-(3-pyridin-2-yloxy-2H-pyrrol-1-ium-2-id-1-ylidene)pyridine?

The IUPAC name of tetrakis(chloroplatinum(1+));4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-2-(2-pyridin-2-yloxy-3H-thiophen-3-id-4-yl)pyridin-1-ium;9-(1-methylbenzimidazol-2-yl)-2-[1-methyl-4-(4-phenylphenyl)pyridin-1-ium-2-yl]-1H-carbazol-1-ide;1-methyl-4-(4-phenylphenyl)-2-(2-pyridin-2-yloxy-3H-furan-3-id-4-yl)pyridin-1-ium;1-methyl-4-(4-phenylphenyl)-2-(3-pyridin-2-yloxy-2H-pyrrol-1-ium-2-id-1-ylidene)pyridine (CID 158948616) is tetrakis(chloroplatinum(1+));4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-2-(2-pyridin-2-yloxy-3H-thiophen-3-id-4-yl)pyridin-1-ium;9-(1-methylbenzimidazol-2-yl)-2-[1-methyl-4-(4-phenylphenyl)pyridin-1-ium-2-yl]-1H-carbazol-1-ide;1-methyl-4-(4-phenylphenyl)-2-(2-pyridin-2-yloxy-3H-furan-3-id-4-yl)pyridin-1-ium;1-methyl-4-(4-phenylphenyl)-2-(3-pyridin-2-yloxy-2H-pyrrol-1-ium-2-id-1-ylidene)pyridine.

What is the SMILES notation for tetrakis(chloroplatinum(1+));4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-2-(2-pyridin-2-yloxy-3H-thiophen-3-id-4-yl)pyridin-1-ium;9-(1-methylbenzimidazol-2-yl)-2-[1-methyl-4-(4-phenylphenyl)pyridin-1-ium-2-yl]-1H-carbazol-1-ide;1-methyl-4-(4-phenylphenyl)-2-(2-pyridin-2-yloxy-3H-furan-3-id-4-yl)pyridin-1-ium;1-methyl-4-(4-phenylphenyl)-2-(3-pyridin-2-yloxy-2H-pyrrol-1-ium-2-id-1-ylidene)pyridine?

The canonical SMILES for tetrakis(chloroplatinum(1+));4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-2-(2-pyridin-2-yloxy-3H-thiophen-3-id-4-yl)pyridin-1-ium;9-(1-methylbenzimidazol-2-yl)-2-[1-methyl-4-(4-phenylphenyl)pyridin-1-ium-2-yl]-1H-carbazol-1-ide;1-methyl-4-(4-phenylphenyl)-2-(2-pyridin-2-yloxy-3H-furan-3-id-4-yl)pyridin-1-ium;1-methyl-4-(4-phenylphenyl)-2-(3-pyridin-2-yloxy-2H-pyrrol-1-ium-2-id-1-ylidene)pyridine is C[n+]1ccc(-c2ccc(-c3ccccc3)cc2)cc1-c1[c-]c(Oc2ccccn2)oc1.Cc1cc(-c2ccccc2)cc(C)c1-c1cc[n+](C)c(-c2[c-]c(Oc3ccccn3)sc2)c1.Cl[Pt+].Cl[Pt+].Cl[Pt+].Cl[Pt+].Cn1c(-n2c3[c-]c(-c4cc(-c5ccc(-c6ccccc6)cc5)cc[n+]4C)ccc3c3ccccc32)nc2ccccc21.Cn1ccc(-c2ccc(-c3ccccc3)cc2)c/c1=[N+]1/[C-]=C(Oc2ccccn2)C=C1.

What is the InChIKey of tetrakis(chloroplatinum(1+));4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-2-(2-pyridin-2-yloxy-3H-thiophen-3-id-4-yl)pyridin-1-ium;9-(1-methylbenzimidazol-2-yl)-2-[1-methyl-4-(4-phenylphenyl)pyridin-1-ium-2-yl]-1H-carbazol-1-ide;1-methyl-4-(4-phenylphenyl)-2-(2-pyridin-2-yloxy-3H-furan-3-id-4-yl)pyridin-1-ium;1-methyl-4-(4-phenylphenyl)-2-(3-pyridin-2-yloxy-2H-pyrrol-1-ium-2-id-1-ylidene)pyridine?

The InChIKey is FPQSUAKUAZXZKD-UHFFFAOYSA-J. The full InChI is InChI=1S/C38H28N4.C29H24N2OS.C27H21N3O.C27H20N2O2.4ClH.4Pt/c1-40-23-22-29(28-18-16-27(17-19-28)26-10-4-3-5-11-26)24-36(40)30-20-21-32-31-12-6-8-14-34(31)42(37(32)25-30)38-39-33-13-7-9-15-35(33)41(38)2;1-20-15-24(22-9-5-4-6-10-22)16-21(2)29(20)23-12-14-31(3)26(17-23)25-18-28(33-19-25)32-27-11-7-8-13-30-27;1-29-17-14-24(23-12-10-22(11-13-23)21-7-3-2-4-8-21)19-27(29)30-18-15-25(20-30)31-26-9-5-6-16-28-26;1-29-16-14-23(22-12-10-21(11-13-22)20-7-3-2-4-8-20)17-25(29)24-18-27(30-19-24)31-26-9-5-6-15-28-26;;;;;;;;/h3-24H,1-2H3;4-17,19H,1-3H3;2-19H,1H3;2-17,19H,1H3;4*1H;;;;/q;;;;;;;;4*+2/p-4.

What are the key properties of tetrakis(chloroplatinum(1+));4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-2-(2-pyridin-2-yloxy-3H-thiophen-3-id-4-yl)pyridin-1-ium;9-(1-methylbenzimidazol-2-yl)-2-[1-methyl-4-(4-phenylphenyl)pyridin-1-ium-2-yl]-1H-carbazol-1-ide;1-methyl-4-(4-phenylphenyl)-2-(2-pyridin-2-yloxy-3H-furan-3-id-4-yl)pyridin-1-ium;1-methyl-4-(4-phenylphenyl)-2-(3-pyridin-2-yloxy-2H-pyrrol-1-ium-2-id-1-ylidene)pyridine?

tetrakis(chloroplatinum(1+));4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-2-(2-pyridin-2-yloxy-3H-thiophen-3-id-4-yl)pyridin-1-ium;9-(1-methylbenzimidazol-2-yl)-2-[1-methyl-4-(4-phenylphenyl)pyridin-1-ium-2-yl]-1H-carbazol-1-ide;1-methyl-4-(4-phenylphenyl)-2-(2-pyridin-2-yloxy-3H-furan-3-id-4-yl)pyridin-1-ium;1-methyl-4-(4-phenylphenyl)-2-(3-pyridin-2-yloxy-2H-pyrrol-1-ium-2-id-1-ylidene)pyridine has a molecular weight of 2719.34 g/mol, XLogP of 29.09, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(chloroplatinum(1+));4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-2-(2-pyridin-2-yloxy-3H-thiophen-3-id-4-yl)pyridin-1-ium;9-(1-methylbenzimidazol-2-yl)-2-[1-methyl-4-(4-phenylphenyl)pyridin-1-ium-2-yl]-1H-carbazol-1-ide;1-methyl-4-(4-phenylphenyl)-2-(2-pyridin-2-yloxy-3H-furan-3-id-4-yl)pyridin-1-ium;1-methyl-4-(4-phenylphenyl)-2-(3-pyridin-2-yloxy-2H-pyrrol-1-ium-2-id-1-ylidene)pyridine is sourced from PubChem (CID 158948616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).