1-ethynylpyrrole;1-methyl-3-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole-1,3-diium;platinum(2+);platinum(4+)

C43H26N4O2Pt2+2 — CID 168758298

About 1-ethynylpyrrole;1-methyl-3-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole-1,3-diium;platinum(2+);platinum(4+)

1-ethynylpyrrole;1-methyl-3-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole-1,3-diium;platinum(2+);platinum(4+) (PubChem CID 168758298) has the molecular formula C43H26N4O2Pt2+2 and a molecular weight of 1020.86 g/mol. Its IUPAC name is 1-ethynylpyrrole;1-methyl-3-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole-1,3-diium;platinum(2+);platinum(4+).

Molecular Properties

• Compound Name: 1-ethynylpyrrole;1-methyl-3-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole-1,3-diium;platinum(2+);platinum(4+)
• PubChem CID: 168758298
• Molecular Formula: C43H26N4O2Pt2+2
• Molecular Weight: 1020.86 g/mol
• Exact Mass: 1020.13
• IUPAC Name: 1-ethynylpyrrole;1-methyl-3-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole-1,3-diium;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)c2ccccc21.[C-]#Cn1cccc1.[Pt+2].[Pt+4]
• InChI: InChI=1S/C37H22N3O2.C6H4N.2Pt/c1-39-26-40(37-19-6-5-18-36(37)39)30-12-9-17-34(25-30)42-33-16-8-11-29(23-33)35-24-28(20-21-38-35)27-10-7-15-32(22-27)41-31-13-3-2-4-14-31;1-2-7-5-3-4-6-7;;/h2-13,15-19,21,24H,1H3;3-6H;;/q-3;-1;+2;+4
• InChIKey: NBWQBKJERHSEEX-UHFFFAOYSA-N
• XLogP: 9.18
• 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	1020.86
LogP ≤ 5	9.18
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-ethynylpyrrole;1-methyl-3-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole-1,3-diium;platinum(2+);platinum(4+)?

The IUPAC name of 1-ethynylpyrrole;1-methyl-3-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole-1,3-diium;platinum(2+);platinum(4+) (CID 168758298) is 1-ethynylpyrrole;1-methyl-3-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole-1,3-diium;platinum(2+);platinum(4+).

What is the SMILES notation for 1-ethynylpyrrole;1-methyl-3-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole-1,3-diium;platinum(2+);platinum(4+)?

The canonical SMILES for 1-ethynylpyrrole;1-methyl-3-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole-1,3-diium;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)c2ccccc21.[C-]#Cn1cccc1.[Pt+2].[Pt+4].

What is the InChIKey of 1-ethynylpyrrole;1-methyl-3-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole-1,3-diium;platinum(2+);platinum(4+)?

The InChIKey is NBWQBKJERHSEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N3O2.C6H4N.2Pt/c1-39-26-40(37-19-6-5-18-36(37)39)30-12-9-17-34(25-30)42-33-16-8-11-29(23-33)35-24-28(20-21-38-35)27-10-7-15-32(22-27)41-31-13-3-2-4-14-31;1-2-7-5-3-4-6-7;;/h2-13,15-19,21,24H,1H3;3-6H;;/q-3;-1;+2;+4.

What are the key properties of 1-ethynylpyrrole;1-methyl-3-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole-1,3-diium;platinum(2+);platinum(4+)?

1-ethynylpyrrole;1-methyl-3-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole-1,3-diium;platinum(2+);platinum(4+) has a molecular weight of 1020.86 g/mol, XLogP of 9.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethynylpyrrole;1-methyl-3-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole-1,3-diium;platinum(2+);platinum(4+) is sourced from PubChem (CID 168758298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).