1-ethynylpyrrole;6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(2H-naphthalen-2-id-1-yloxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+)

C43H27N4O2Pt2-3 — CID 168758340

About 1-ethynylpyrrole;6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(2H-naphthalen-2-id-1-yloxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+)

1-ethynylpyrrole;6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(2H-naphthalen-2-id-1-yloxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+) (PubChem CID 168758340) has the molecular formula C43H27N4O2Pt2-3 and a molecular weight of 1021.87 g/mol. Its IUPAC name is 1-ethynylpyrrole;6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(2H-naphthalen-2-id-1-yloxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+).

Molecular Properties

• Compound Name: 1-ethynylpyrrole;6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(2H-naphthalen-2-id-1-yloxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+)
• PubChem CID: 168758340
• Molecular Formula: C43H27N4O2Pt2-3
• Molecular Weight: 1021.87 g/mol
• Exact Mass: 1021.14
• IUPAC Name: 1-ethynylpyrrole;6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(2H-naphthalen-2-id-1-yloxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+)
• SMILES: CN1C=CN(c2[c-]c(Oc3[c-]c(-c4cc(-c5[c-]c(Oc6[c-]ccc7ccccc67)ccc5)[c-]cn4)ccc3)ccc2)[CH-]1.[C-]#Cn1cccc1.[Pt+4].[Pt]
• InChI: InChI=1S/C37H23N3O2.C6H4N.2Pt/c1-39-20-21-40(26-39)31-12-7-15-34(25-31)41-32-13-5-11-30(23-32)36-24-29(18-19-38-36)28-10-4-14-33(22-28)42-37-17-6-9-27-8-2-3-16-35(27)37;1-2-7-5-3-4-6-7;;/h2-16,19-21,24,26H,1H3;3-6H;;/q-6;-1;;+4
• InChIKey: KNYGXCXCXLIXPG-UHFFFAOYSA-N
• XLogP: 9.38
• TPSA: 42.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1021.87
LogP ≤ 5	9.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethynylpyrrole;6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(2H-naphthalen-2-id-1-yloxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+)?

The IUPAC name of 1-ethynylpyrrole;6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(2H-naphthalen-2-id-1-yloxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+) (CID 168758340) is 1-ethynylpyrrole;6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(2H-naphthalen-2-id-1-yloxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+).

What is the SMILES notation for 1-ethynylpyrrole;6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(2H-naphthalen-2-id-1-yloxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+)?

The canonical SMILES for 1-ethynylpyrrole;6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(2H-naphthalen-2-id-1-yloxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+) is CN1C=CN(c2[c-]c(Oc3[c-]c(-c4cc(-c5[c-]c(Oc6[c-]ccc7ccccc67)ccc5)[c-]cn4)ccc3)ccc2)[CH-]1.[C-]#Cn1cccc1.[Pt+4].[Pt].

What is the InChIKey of 1-ethynylpyrrole;6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(2H-naphthalen-2-id-1-yloxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+)?

The InChIKey is KNYGXCXCXLIXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3O2.C6H4N.2Pt/c1-39-20-21-40(26-39)31-12-7-15-34(25-31)41-32-13-5-11-30(23-32)36-24-29(18-19-38-36)28-10-4-14-33(22-28)42-37-17-6-9-27-8-2-3-16-35(27)37;1-2-7-5-3-4-6-7;;/h2-16,19-21,24,26H,1H3;3-6H;;/q-6;-1;;+4.

What are the key properties of 1-ethynylpyrrole;6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(2H-naphthalen-2-id-1-yloxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+)?

1-ethynylpyrrole;6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(2H-naphthalen-2-id-1-yloxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+) has a molecular weight of 1021.87 g/mol, XLogP of 9.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethynylpyrrole;6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(2H-naphthalen-2-id-1-yloxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+) is sourced from PubChem (CID 168758340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).