5-(3,5-diphenylphenyl)-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;1-ethynylpyrrole;platinum(2+);platinum(4+)

C57H36N4O2Pt2+2 — CID 168758503

About 5-(3,5-diphenylphenyl)-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;1-ethynylpyrrole;platinum(2+);platinum(4+)

5-(3,5-diphenylphenyl)-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;1-ethynylpyrrole;platinum(2+);platinum(4+) (PubChem CID 168758503) has the molecular formula C57H36N4O2Pt2+2 and a molecular weight of 1199.10 g/mol. Its IUPAC name is 5-(3,5-diphenylphenyl)-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;1-ethynylpyrrole;platinum(2+);platinum(4+).

Molecular Properties

• Compound Name: 5-(3,5-diphenylphenyl)-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;1-ethynylpyrrole;platinum(2+);platinum(4+)
• PubChem CID: 168758503
• Molecular Formula: C57H36N4O2Pt2+2
• Molecular Weight: 1199.10 g/mol
• Exact Mass: 1198.21
• IUPAC Name: 5-(3,5-diphenylphenyl)-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;1-ethynylpyrrole;platinum(2+);platinum(4+)
• SMILES: C[N+]1=C=[N+](c2[c-]c(Oc3[c-]c(-c4nc[c-]c(-c5[c-]c(Oc6[c-]cccc6)ccc5)c4-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc3)ccc2)C=C1.[C-]#Cn1cccc1.[Pt+2].[Pt+4]
• InChI: InChI=1S/C51H32N3O2.C6H4N.2Pt/c1-53-28-29-54(36-53)44-20-13-25-48(35-44)56-47-24-12-19-40(34-47)51-50(49(26-27-52-51)39-18-11-23-46(33-39)55-45-21-9-4-10-22-45)43-31-41(37-14-5-2-6-15-37)30-42(32-43)38-16-7-3-8-17-38;1-2-7-5-3-4-6-7;;/h2-21,23-25,27-32H,1H3;3-6H;;/q-3;-1;+2;+4
• InChIKey: HYXJTANRZBIKCX-UHFFFAOYSA-N
• XLogP: 12.83
• TPSA: 42.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1199.10
LogP ≤ 5	12.83
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 5-(3,5-diphenylphenyl)-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;1-ethynylpyrrole;platinum(2+);platinum(4+)?

The IUPAC name of 5-(3,5-diphenylphenyl)-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;1-ethynylpyrrole;platinum(2+);platinum(4+) (CID 168758503) is 5-(3,5-diphenylphenyl)-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;1-ethynylpyrrole;platinum(2+);platinum(4+).

What is the SMILES notation for 5-(3,5-diphenylphenyl)-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;1-ethynylpyrrole;platinum(2+);platinum(4+)?

The canonical SMILES for 5-(3,5-diphenylphenyl)-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;1-ethynylpyrrole;platinum(2+);platinum(4+) is C[N+]1=C=[N+](c2[c-]c(Oc3[c-]c(-c4nc[c-]c(-c5[c-]c(Oc6[c-]cccc6)ccc5)c4-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc3)ccc2)C=C1.[C-]#Cn1cccc1.[Pt+2].[Pt+4].

What is the InChIKey of 5-(3,5-diphenylphenyl)-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;1-ethynylpyrrole;platinum(2+);platinum(4+)?

The InChIKey is HYXJTANRZBIKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N3O2.C6H4N.2Pt/c1-53-28-29-54(36-53)44-20-13-25-48(35-44)56-47-24-12-19-40(34-47)51-50(49(26-27-52-51)39-18-11-23-46(33-39)55-45-21-9-4-10-22-45)43-31-41(37-14-5-2-6-15-37)30-42(32-43)38-16-7-3-8-17-38;1-2-7-5-3-4-6-7;;/h2-21,23-25,27-32H,1H3;3-6H;;/q-3;-1;+2;+4.

What are the key properties of 5-(3,5-diphenylphenyl)-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;1-ethynylpyrrole;platinum(2+);platinum(4+)?

5-(3,5-diphenylphenyl)-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;1-ethynylpyrrole;platinum(2+);platinum(4+) has a molecular weight of 1199.10 g/mol, XLogP of 12.83, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-diphenylphenyl)-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;1-ethynylpyrrole;platinum(2+);platinum(4+) is sourced from PubChem (CID 168758503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).