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

C42H30N4O2Pt2+2 — CID 168758342

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

1-ethynylpyrrole;4-[3-(phenoxy)benzene-2-id-1-yl]-6-[2,3,4-trimethyl-5-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+) (PubChem CID 168758342) has the molecular formula C42H30N4O2Pt2+2 and a molecular weight of 1012.88 g/mol. Its IUPAC name is 1-ethynylpyrrole;4-[3-(phenoxy)benzene-2-id-1-yl]-6-[2,3,4-trimethyl-5-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+).

Molecular Properties

• Compound Name: 1-ethynylpyrrole;4-[3-(phenoxy)benzene-2-id-1-yl]-6-[2,3,4-trimethyl-5-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+)
• PubChem CID: 168758342
• Molecular Formula: C42H30N4O2Pt2+2
• Molecular Weight: 1012.88 g/mol
• Exact Mass: 1012.17
• IUPAC Name: 1-ethynylpyrrole;4-[3-(phenoxy)benzene-2-id-1-yl]-6-[2,3,4-trimethyl-5-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+)
• SMILES: Cc1c(Oc2[c-]c([N+]3=C=[N+](C)C=C3)ccc2)[c-]c(-c2cc(-c3[c-]c(Oc4[c-]cccc4)ccc3)[c-]cn2)c(C)c1C.[C-]#Cn1cccc1.[Pt+2].[Pt+4]
• InChI: InChI=1S/C36H26N3O2.C6H4N.2Pt/c1-25-26(2)34(23-36(27(25)3)41-33-15-9-11-30(22-33)39-19-18-38(4)24-39)35-21-29(16-17-37-35)28-10-8-14-32(20-28)40-31-12-6-5-7-13-31;1-2-7-5-3-4-6-7;;/h5-12,14-15,17-19,21H,1-4H3;3-6H;;/q-3;-1;+2;+4
• InChIKey: OGYAOCRRWOERDY-UHFFFAOYSA-N
• XLogP: 8.75
• TPSA: 42.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1012.88
LogP ≤ 5	8.75
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;4-[3-(phenoxy)benzene-2-id-1-yl]-6-[2,3,4-trimethyl-5-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+)?

The IUPAC name of 1-ethynylpyrrole;4-[3-(phenoxy)benzene-2-id-1-yl]-6-[2,3,4-trimethyl-5-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+) (CID 168758342) is 1-ethynylpyrrole;4-[3-(phenoxy)benzene-2-id-1-yl]-6-[2,3,4-trimethyl-5-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+).

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

The canonical SMILES for 1-ethynylpyrrole;4-[3-(phenoxy)benzene-2-id-1-yl]-6-[2,3,4-trimethyl-5-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+) is Cc1c(Oc2[c-]c([N+]3=C=[N+](C)C=C3)ccc2)[c-]c(-c2cc(-c3[c-]c(Oc4[c-]cccc4)ccc3)[c-]cn2)c(C)c1C.[C-]#Cn1cccc1.[Pt+2].[Pt+4].

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

The InChIKey is OGYAOCRRWOERDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N3O2.C6H4N.2Pt/c1-25-26(2)34(23-36(27(25)3)41-33-15-9-11-30(22-33)39-19-18-38(4)24-39)35-21-29(16-17-37-35)28-10-8-14-32(20-28)40-31-12-6-5-7-13-31;1-2-7-5-3-4-6-7;;/h5-12,14-15,17-19,21H,1-4H3;3-6H;;/q-3;-1;+2;+4.

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

1-ethynylpyrrole;4-[3-(phenoxy)benzene-2-id-1-yl]-6-[2,3,4-trimethyl-5-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+) has a molecular weight of 1012.88 g/mol, XLogP of 8.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethynylpyrrole;4-[3-(phenoxy)benzene-2-id-1-yl]-6-[2,3,4-trimethyl-5-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3H-pyridin-3-ide;platinum(2+);platinum(4+) is sourced from PubChem (CID 168758342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).