6-[3-[3-(3-ethylimidazole-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+)

C40H26N4O2Pt2+2 — CID 168758431

About 6-[3-[3-(3-ethylimidazole-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+)

6-[3-[3-(3-ethylimidazole-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 168758431) has the molecular formula C40H26N4O2Pt2+2 and a molecular weight of 984.83 g/mol. Its IUPAC name is 6-[3-[3-(3-ethylimidazole-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: 6-[3-[3-(3-ethylimidazole-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: 168758431
• Molecular Formula: C40H26N4O2Pt2+2
• Molecular Weight: 984.83 g/mol
• Exact Mass: 984.13
• IUPAC Name: 6-[3-[3-(3-ethylimidazole-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: CC[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-]#Cn1cccc1.[Pt+2].[Pt+4]
• InChI: InChI=1S/C34H22N3O2.C6H4N.2Pt/c1-2-36-19-20-37(25-36)29-11-8-16-33(24-29)39-32-15-7-10-28(22-32)34-23-27(17-18-35-34)26-9-6-14-31(21-26)38-30-12-4-3-5-13-30;1-2-7-5-3-4-6-7;;/h3-12,14-16,18-20,23H,2H2,1H3;3-6H;;/q-3;-1;+2;+4
• InChIKey: NMEWUCDNTPLOGH-UHFFFAOYSA-N
• XLogP: 8.21
• TPSA: 42.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	984.83
LogP ≤ 5	8.21
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 6-[3-[3-(3-ethylimidazole-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 6-[3-[3-(3-ethylimidazole-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 168758431) is 6-[3-[3-(3-ethylimidazole-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 6-[3-[3-(3-ethylimidazole-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 6-[3-[3-(3-ethylimidazole-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 CC[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-]#Cn1cccc1.[Pt+2].[Pt+4].

What is the InChIKey of 6-[3-[3-(3-ethylimidazole-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 NMEWUCDNTPLOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N3O2.C6H4N.2Pt/c1-2-36-19-20-37(25-36)29-11-8-16-33(24-29)39-32-15-7-10-28(22-32)34-23-27(17-18-35-34)26-9-6-14-31(21-26)38-30-12-4-3-5-13-30;1-2-7-5-3-4-6-7;;/h3-12,14-16,18-20,23H,2H2,1H3;3-6H;;/q-3;-1;+2;+4.

What are the key properties of 6-[3-[3-(3-ethylimidazole-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+)?

6-[3-[3-(3-ethylimidazole-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 984.83 g/mol, XLogP of 8.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[3-(3-ethylimidazole-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 168758431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).