6-[3-[3-(3-tert-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;1-ethynylpyrrole;platinum;platinum(4+)

C42H31N4O2Pt2-3 — CID 168758492

About 6-[3-[3-(3-tert-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;1-ethynylpyrrole;platinum;platinum(4+)

6-[3-[3-(3-tert-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;1-ethynylpyrrole;platinum;platinum(4+) (PubChem CID 168758492) has the molecular formula C42H31N4O2Pt2-3 and a molecular weight of 1013.89 g/mol. Its IUPAC name is 6-[3-[3-(3-tert-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;1-ethynylpyrrole;platinum;platinum(4+).

Molecular Properties

• Compound Name: 6-[3-[3-(3-tert-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;1-ethynylpyrrole;platinum;platinum(4+)
• PubChem CID: 168758492
• Molecular Formula: C42H31N4O2Pt2-3
• Molecular Weight: 1013.89 g/mol
• Exact Mass: 1013.18
• IUPAC Name: 6-[3-[3-(3-tert-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;1-ethynylpyrrole;platinum;platinum(4+)
• SMILES: CC(C)(C)N1C=CN(c2[c-]c(Oc3[c-]c(-c4cc(-c5[c-]c(Oc6[c-]cccc6)ccc5)[c-]cn4)ccc3)ccc2)[CH-]1.[C-]#Cn1cccc1.[Pt+4].[Pt]
• InChI: InChI=1S/C36H27N3O2.C6H4N.2Pt/c1-36(2,3)39-21-20-38(26-39)30-12-9-17-34(25-30)41-33-16-8-11-29(23-33)35-24-28(18-19-37-35)27-10-7-15-32(22-27)40-31-13-5-4-6-14-31;1-2-7-5-3-4-6-7;;/h4-13,15-17,19-21,24,26H,1-3H3;3-6H;;/q-6;-1;;+4
• InChIKey: RKPNATVDFSUBIF-UHFFFAOYSA-N
• XLogP: 9.39
• TPSA: 42.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1013.89
LogP ≤ 5	9.39
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 6-[3-[3-(3-tert-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;1-ethynylpyrrole;platinum;platinum(4+)?

The IUPAC name of 6-[3-[3-(3-tert-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;1-ethynylpyrrole;platinum;platinum(4+) (CID 168758492) is 6-[3-[3-(3-tert-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;1-ethynylpyrrole;platinum;platinum(4+).

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

The canonical SMILES for 6-[3-[3-(3-tert-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;1-ethynylpyrrole;platinum;platinum(4+) is CC(C)(C)N1C=CN(c2[c-]c(Oc3[c-]c(-c4cc(-c5[c-]c(Oc6[c-]cccc6)ccc5)[c-]cn4)ccc3)ccc2)[CH-]1.[C-]#Cn1cccc1.[Pt+4].[Pt].

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

The InChIKey is RKPNATVDFSUBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N3O2.C6H4N.2Pt/c1-36(2,3)39-21-20-38(26-39)30-12-9-17-34(25-30)41-33-16-8-11-29(23-33)35-24-28(18-19-37-35)27-10-7-15-32(22-27)40-31-13-5-4-6-14-31;1-2-7-5-3-4-6-7;;/h4-13,15-17,19-21,24,26H,1-3H3;3-6H;;/q-6;-1;;+4.

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

6-[3-[3-(3-tert-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;1-ethynylpyrrole;platinum;platinum(4+) has a molecular weight of 1013.89 g/mol, XLogP of 9.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[3-(3-tert-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;1-ethynylpyrrole;platinum;platinum(4+) is sourced from PubChem (CID 168758492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).