1-ethynyl-3,4-diphenylpyrrole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+)

C45H29N4OPt2-3 — CID 168763320

About 1-ethynyl-3,4-diphenylpyrrole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+)

1-ethynyl-3,4-diphenylpyrrole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+) (PubChem CID 168763320) has the molecular formula C45H29N4OPt2-3 and a molecular weight of 1031.91 g/mol. Its IUPAC name is 1-ethynyl-3,4-diphenylpyrrole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+).

Molecular Properties

• Compound Name: 1-ethynyl-3,4-diphenylpyrrole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+)
• PubChem CID: 168763320
• Molecular Formula: C45H29N4OPt2-3
• Molecular Weight: 1031.91 g/mol
• Exact Mass: 1031.17
• IUPAC Name: 1-ethynyl-3,4-diphenylpyrrole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+)
• SMILES: CN1C=CN(c2[c-]c(Oc3[c-]c(-c4[c-]c(-c5[c-]cccc5)ccn4)[c-]cc3)ccc2)[CH-]1.[C-]#Cn1cc(-c2ccccc2)c(-c2ccccc2)c1.[Pt+4].[Pt]
• InChI: InChI=1S/C27H17N3O.C18H12N.2Pt/c1-29-15-16-30(20-29)24-10-6-12-26(19-24)31-25-11-5-9-23(17-25)27-18-22(13-14-28-27)21-7-3-2-4-8-21;1-2-19-13-17(15-9-5-3-6-10-15)18(14-19)16-11-7-4-8-12-16;;/h2-7,10-16,20H,1H3;3-14H;;/q-6;-1;;+4
• InChIKey: JXPIFOHFMVGMRY-UHFFFAOYSA-N
• XLogP: 9.76
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1031.91
LogP ≤ 5	9.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-ethynyl-3,4-diphenylpyrrole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+)?

The IUPAC name of 1-ethynyl-3,4-diphenylpyrrole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+) (CID 168763320) is 1-ethynyl-3,4-diphenylpyrrole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+).

What is the SMILES notation for 1-ethynyl-3,4-diphenylpyrrole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+)?

The canonical SMILES for 1-ethynyl-3,4-diphenylpyrrole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+) is CN1C=CN(c2[c-]c(Oc3[c-]c(-c4[c-]c(-c5[c-]cccc5)ccn4)[c-]cc3)ccc2)[CH-]1.[C-]#Cn1cc(-c2ccccc2)c(-c2ccccc2)c1.[Pt+4].[Pt].

What is the InChIKey of 1-ethynyl-3,4-diphenylpyrrole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+)?

The InChIKey is JXPIFOHFMVGMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3O.C18H12N.2Pt/c1-29-15-16-30(20-29)24-10-6-12-26(19-24)31-25-11-5-9-23(17-25)27-18-22(13-14-28-27)21-7-3-2-4-8-21;1-2-19-13-17(15-9-5-3-6-10-15)18(14-19)16-11-7-4-8-12-16;;/h2-7,10-16,20H,1H3;3-14H;;/q-6;-1;;+4.

What are the key properties of 1-ethynyl-3,4-diphenylpyrrole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+)?

1-ethynyl-3,4-diphenylpyrrole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+) has a molecular weight of 1031.91 g/mol, XLogP of 9.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethynyl-3,4-diphenylpyrrole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+) is sourced from PubChem (CID 168763320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).