1-[3-[3-(3-ethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3,4,4-trimethyl-2H-quinazolin-2-ide;platinum(4+)

C28H28N4OPt — CID 164705394

About 1-[3-[3-(3-ethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3,4,4-trimethyl-2H-quinazolin-2-ide;platinum(4+)

1-[3-[3-(3-ethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3,4,4-trimethyl-2H-quinazolin-2-ide;platinum(4+) (PubChem CID 164705394) has the molecular formula C28H28N4OPt and a molecular weight of 631.64 g/mol. Its IUPAC name is 1-[3-[3-(3-ethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3,4,4-trimethyl-2H-quinazolin-2-ide;platinum(4+).

Molecular Properties

• Compound Name: 1-[3-[3-(3-ethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3,4,4-trimethyl-2H-quinazolin-2-ide;platinum(4+)
• PubChem CID: 164705394
• Molecular Formula: C28H28N4OPt
• Molecular Weight: 631.64 g/mol
• Exact Mass: 631.19
• IUPAC Name: 1-[3-[3-(3-ethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3,4,4-trimethyl-2H-quinazolin-2-ide;platinum(4+)
• SMILES: CCN1C=CN(c2[c-]c(Oc3[c-]c(N4[CH-]N(C)C(C)(C)c5ccccc54)ccc3)ccc2)[CH-]1.[Pt+4]
• InChI: InChI=1S/C28H28N4O.Pt/c1-5-30-16-17-31(21-30)22-10-8-12-24(18-22)33-25-13-9-11-23(19-25)32-20-29(4)28(2,3)26-14-6-7-15-27(26)32;/h6-17,20-21H,5H2,1-4H3;/q-4;+4
• InChIKey: YYXSDGAGZXGIMK-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 22.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.64
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(3-ethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3,4,4-trimethyl-2H-quinazolin-2-ide;platinum(4+)?

The IUPAC name of 1-[3-[3-(3-ethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3,4,4-trimethyl-2H-quinazolin-2-ide;platinum(4+) (CID 164705394) is 1-[3-[3-(3-ethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3,4,4-trimethyl-2H-quinazolin-2-ide;platinum(4+).

What is the SMILES notation for 1-[3-[3-(3-ethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3,4,4-trimethyl-2H-quinazolin-2-ide;platinum(4+)?

The canonical SMILES for 1-[3-[3-(3-ethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3,4,4-trimethyl-2H-quinazolin-2-ide;platinum(4+) is CCN1C=CN(c2[c-]c(Oc3[c-]c(N4[CH-]N(C)C(C)(C)c5ccccc54)ccc3)ccc2)[CH-]1.[Pt+4].

What is the InChIKey of 1-[3-[3-(3-ethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3,4,4-trimethyl-2H-quinazolin-2-ide;platinum(4+)?

The InChIKey is YYXSDGAGZXGIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O.Pt/c1-5-30-16-17-31(21-30)22-10-8-12-24(18-22)33-25-13-9-11-23(19-25)32-20-29(4)28(2,3)26-14-6-7-15-27(26)32;/h6-17,20-21H,5H2,1-4H3;/q-4;+4.

What are the key properties of 1-[3-[3-(3-ethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3,4,4-trimethyl-2H-quinazolin-2-ide;platinum(4+)?

1-[3-[3-(3-ethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3,4,4-trimethyl-2H-quinazolin-2-ide;platinum(4+) has a molecular weight of 631.64 g/mol, XLogP of 6.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-(3-ethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3,4,4-trimethyl-2H-quinazolin-2-ide;platinum(4+) is sourced from PubChem (CID 164705394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).