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+);2,3,4,5-tetradeuterio-1-ethynylpyrrole

C33H21N4OPt2-3 — CID 168763326

About 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+);2,3,4,5-tetradeuterio-1-ethynylpyrrole

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+);2,3,4,5-tetradeuterio-1-ethynylpyrrole (PubChem CID 168763326) has the molecular formula C33H21N4OPt2-3 and a molecular weight of 883.74 g/mol. Its IUPAC name is 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+);2,3,4,5-tetradeuterio-1-ethynylpyrrole.

Molecular Properties

• Compound Name: 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+);2,3,4,5-tetradeuterio-1-ethynylpyrrole
• PubChem CID: 168763326
• Molecular Formula: C33H21N4OPt2-3
• Molecular Weight: 883.74 g/mol
• Exact Mass: 883.13
• IUPAC Name: 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+);2,3,4,5-tetradeuterio-1-ethynylpyrrole
• SMILES: CN1C=CN(c2[c-]c(Oc3[c-]c(-c4[c-]c(-c5[c-]cccc5)ccn4)[c-]cc3)ccc2)[CH-]1.[2H]c1c([2H])c([2H])n(C#[C-])c1[2H].[Pt+4].[Pt]
• InChI: InChI=1S/C27H17N3O.C6H4N.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;1-2-7-5-3-4-6-7;;/h2-7,10-16,20H,1H3;3-6H;;/q-6;-1;;+4/i;3D,4D,5D,6D
• InChIKey: QKVXFCGDSTVTHI-ZSQVPECKSA-N
• XLogP: 6.43
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	883.74
LogP ≤ 5	6.43
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 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+);2,3,4,5-tetradeuterio-1-ethynylpyrrole?

The IUPAC name of 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+);2,3,4,5-tetradeuterio-1-ethynylpyrrole (CID 168763326) is 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+);2,3,4,5-tetradeuterio-1-ethynylpyrrole.

What is the SMILES notation for 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+);2,3,4,5-tetradeuterio-1-ethynylpyrrole?

The canonical SMILES for 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+);2,3,4,5-tetradeuterio-1-ethynylpyrrole is CN1C=CN(c2[c-]c(Oc3[c-]c(-c4[c-]c(-c5[c-]cccc5)ccn4)[c-]cc3)ccc2)[CH-]1.[2H]c1c([2H])c([2H])n(C#[C-])c1[2H].[Pt+4].[Pt].

What is the InChIKey of 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+);2,3,4,5-tetradeuterio-1-ethynylpyrrole?

The InChIKey is QKVXFCGDSTVTHI-ZSQVPECKSA-N. The full InChI is InChI=1S/C27H17N3O.C6H4N.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;1-2-7-5-3-4-6-7;;/h2-7,10-16,20H,1H3;3-6H;;/q-6;-1;;+4/i;3D,4D,5D,6D;;.

What are the key properties of 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+);2,3,4,5-tetradeuterio-1-ethynylpyrrole?

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+);2,3,4,5-tetradeuterio-1-ethynylpyrrole has a molecular weight of 883.74 g/mol, XLogP of 6.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 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+);2,3,4,5-tetradeuterio-1-ethynylpyrrole is sourced from PubChem (CID 168763326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).