6-[3-[3-(3-benzyl-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+)

C45H29N4O2Pt2-3 — CID 168758234

About 6-[3-[3-(3-benzyl-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-benzyl-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 168758234) has the molecular formula C45H29N4O2Pt2-3 and a molecular weight of 1047.91 g/mol. Its IUPAC name is 6-[3-[3-(3-benzyl-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-benzyl-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: 168758234
• Molecular Formula: C45H29N4O2Pt2-3
• Molecular Weight: 1047.91 g/mol
• Exact Mass: 1047.16
• IUPAC Name: 6-[3-[3-(3-benzyl-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: [C-]#Cn1cccc1.[Pt+4].[Pt].[c-]1ccccc1Oc1[c-]c(-c2[c-]cnc(-c3[c-]c(Oc4[c-]c(N5C=CN(Cc6ccccc6)[CH-]5)ccc4)ccc3)c2)ccc1
• InChI: InChI=1S/C39H25N3O2.C6H4N.2Pt/c1-3-10-30(11-4-1)28-41-22-23-42(29-41)34-14-9-19-38(27-34)44-37-18-8-13-33(25-37)39-26-32(20-21-40-39)31-12-7-17-36(24-31)43-35-15-5-2-6-16-35;1-2-7-5-3-4-6-7;;/h1-15,17-19,21-23,26,29H,28H2;3-6H;;/q-6;-1;;+4
• InChIKey: CGKPNTMFNBRHKH-UHFFFAOYSA-N
• XLogP: 9.79
• TPSA: 42.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1047.91
LogP ≤ 5	9.79
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-benzyl-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-benzyl-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 168758234) is 6-[3-[3-(3-benzyl-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-benzyl-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-benzyl-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 [C-]#Cn1cccc1.[Pt+4].[Pt].[c-]1ccccc1Oc1[c-]c(-c2[c-]cnc(-c3[c-]c(Oc4[c-]c(N5C=CN(Cc6ccccc6)[CH-]5)ccc4)ccc3)c2)ccc1.

What is the InChIKey of 6-[3-[3-(3-benzyl-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 CGKPNTMFNBRHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O2.C6H4N.2Pt/c1-3-10-30(11-4-1)28-41-22-23-42(29-41)34-14-9-19-38(27-34)44-37-18-8-13-33(25-37)39-26-32(20-21-40-39)31-12-7-17-36(24-31)43-35-15-5-2-6-16-35;1-2-7-5-3-4-6-7;;/h1-15,17-19,21-23,26,29H,28H2;3-6H;;/q-6;-1;;+4.

What are the key properties of 6-[3-[3-(3-benzyl-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-benzyl-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 1047.91 g/mol, XLogP of 9.79, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[3-(3-benzyl-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 168758234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).