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

C37H22N5OPt2-3 — CID 168763496

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

1-ethynylpyrrole;4-phenyl-2-[3-[3-(3-pyridin-4-yl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+) (PubChem CID 168763496) has the molecular formula C37H22N5OPt2-3 and a molecular weight of 942.77 g/mol. Its IUPAC name is 1-ethynylpyrrole;4-phenyl-2-[3-[3-(3-pyridin-4-yl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+).

Molecular Properties

• Compound Name: 1-ethynylpyrrole;4-phenyl-2-[3-[3-(3-pyridin-4-yl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+)
• PubChem CID: 168763496
• Molecular Formula: C37H22N5OPt2-3
• Molecular Weight: 942.77 g/mol
• Exact Mass: 942.11
• IUPAC Name: 1-ethynylpyrrole;4-phenyl-2-[3-[3-(3-pyridin-4-yl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+)
• SMILES: [C-]#Cn1cccc1.[Pt+4].[Pt].[c-]1ccc(Oc2[c-]c(N3C=CN(c4ccncc4)[CH-]3)ccc2)[c-]c1-c1[c-]c(-c2[c-]cccc2)ccn1
• InChI: InChI=1S/C31H18N4O.C6H4N.2Pt/c1-2-6-24(7-3-1)25-12-17-33-31(21-25)26-8-4-10-29(20-26)36-30-11-5-9-28(22-30)35-19-18-34(23-35)27-13-15-32-16-14-27;1-2-7-5-3-4-6-7;;/h1-6,9-19,23H;3-6H;;/q-6;-1;;+4
• InChIKey: UIZZLRDSFCLMKH-UHFFFAOYSA-N
• XLogP: 7.40
• TPSA: 46.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	942.77
LogP ≤ 5	7.40
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;4-phenyl-2-[3-[3-(3-pyridin-4-yl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+)?

The IUPAC name of 1-ethynylpyrrole;4-phenyl-2-[3-[3-(3-pyridin-4-yl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+) (CID 168763496) is 1-ethynylpyrrole;4-phenyl-2-[3-[3-(3-pyridin-4-yl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+).

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

The canonical SMILES for 1-ethynylpyrrole;4-phenyl-2-[3-[3-(3-pyridin-4-yl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+) is [C-]#Cn1cccc1.[Pt+4].[Pt].[c-]1ccc(Oc2[c-]c(N3C=CN(c4ccncc4)[CH-]3)ccc2)[c-]c1-c1[c-]c(-c2[c-]cccc2)ccn1.

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

The InChIKey is UIZZLRDSFCLMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18N4O.C6H4N.2Pt/c1-2-6-24(7-3-1)25-12-17-33-31(21-25)26-8-4-10-29(20-26)36-30-11-5-9-28(22-30)35-19-18-34(23-35)27-13-15-32-16-14-27;1-2-7-5-3-4-6-7;;/h1-6,9-19,23H;3-6H;;/q-6;-1;;+4.

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

1-ethynylpyrrole;4-phenyl-2-[3-[3-(3-pyridin-4-yl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+) has a molecular weight of 942.77 g/mol, XLogP of 7.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethynylpyrrole;4-phenyl-2-[3-[3-(3-pyridin-4-yl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+) is sourced from PubChem (CID 168763496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).