1-ethynyl-2,3,4,5-tetramethylpyrrole;6-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+)

C43H32N4O2Pt2+2 — CID 168758328

About 1-ethynyl-2,3,4,5-tetramethylpyrrole;6-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+)

1-ethynyl-2,3,4,5-tetramethylpyrrole;6-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+) (PubChem CID 168758328) has the molecular formula C43H32N4O2Pt2+2 and a molecular weight of 1026.91 g/mol. Its IUPAC name is 1-ethynyl-2,3,4,5-tetramethylpyrrole;6-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+).

Molecular Properties

• Compound Name: 1-ethynyl-2,3,4,5-tetramethylpyrrole;6-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+)
• PubChem CID: 168758328
• Molecular Formula: C43H32N4O2Pt2+2
• Molecular Weight: 1026.91 g/mol
• Exact Mass: 1026.18
• IUPAC Name: 1-ethynyl-2,3,4,5-tetramethylpyrrole;6-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+)
• SMILES: C[N+]1=C=[N+](c2[c-]c(Oc3[c-]c(-c4cc(-c5[c-]c(Oc6[c-]cccc6)ccc5)[c-]cn4)ccc3)ccc2)C=C1.[C-]#Cn1c(C)c(C)c(C)c1C.[Pt+2].[Pt+4]
• InChI: InChI=1S/C33H20N3O2.C10H12N.2Pt/c1-35-18-19-36(24-35)28-10-7-15-32(23-28)38-31-14-6-9-27(21-31)33-22-26(16-17-34-33)25-8-5-13-30(20-25)37-29-11-3-2-4-12-29;1-6-11-9(4)7(2)8(3)10(11)5;;/h2-11,13-15,17-19,22H,1H3;2-5H3;;/q-3;-1;+2;+4
• InChIKey: GPDAQTCKMRJQBG-UHFFFAOYSA-N
• XLogP: 9.06
• TPSA: 42.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1026.91
LogP ≤ 5	9.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-2,3,4,5-tetramethylpyrrole;6-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+)?

The IUPAC name of 1-ethynyl-2,3,4,5-tetramethylpyrrole;6-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+) (CID 168758328) is 1-ethynyl-2,3,4,5-tetramethylpyrrole;6-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+).

What is the SMILES notation for 1-ethynyl-2,3,4,5-tetramethylpyrrole;6-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+)?

The canonical SMILES for 1-ethynyl-2,3,4,5-tetramethylpyrrole;6-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+) is C[N+]1=C=[N+](c2[c-]c(Oc3[c-]c(-c4cc(-c5[c-]c(Oc6[c-]cccc6)ccc5)[c-]cn4)ccc3)ccc2)C=C1.[C-]#Cn1c(C)c(C)c(C)c1C.[Pt+2].[Pt+4].

What is the InChIKey of 1-ethynyl-2,3,4,5-tetramethylpyrrole;6-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+)?

The InChIKey is GPDAQTCKMRJQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N3O2.C10H12N.2Pt/c1-35-18-19-36(24-35)28-10-7-15-32(23-28)38-31-14-6-9-27(21-31)33-22-26(16-17-34-33)25-8-5-13-30(20-25)37-29-11-3-2-4-12-29;1-6-11-9(4)7(2)8(3)10(11)5;;/h2-11,13-15,17-19,22H,1H3;2-5H3;;/q-3;-1;+2;+4.

What are the key properties of 1-ethynyl-2,3,4,5-tetramethylpyrrole;6-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+)?

1-ethynyl-2,3,4,5-tetramethylpyrrole;6-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+) has a molecular weight of 1026.91 g/mol, XLogP of 9.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethynyl-2,3,4,5-tetramethylpyrrole;6-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+) is sourced from PubChem (CID 168758328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).