platinum(4+);3,4,4-trimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-quinazolin-2-ide

C42H48N4OPt — CID 164705343

About platinum(4+);3,4,4-trimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-quinazolin-2-ide

platinum(4+);3,4,4-trimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-quinazolin-2-ide (PubChem CID 164705343) has the molecular formula C42H48N4OPt and a molecular weight of 819.95 g/mol. Its IUPAC name is platinum(4+);3,4,4-trimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-quinazolin-2-ide.

Molecular Properties

• Compound Name: platinum(4+);3,4,4-trimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-quinazolin-2-ide
• PubChem CID: 164705343
• Molecular Formula: C42H48N4OPt
• Molecular Weight: 819.95 g/mol
• Exact Mass: 819.35
• IUPAC Name: platinum(4+);3,4,4-trimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-quinazolin-2-ide
• SMILES: CC(C)c1cc(C(C)C)c(-c2cc(Oc3[c-]c(N4[CH-]N(C)C(C)(C)c5ccccc54)ccc3)[c-]c(N3C=CN(C)[CH-]3)c2)c(C(C)C)c1.[Pt+4]
• InChI: InChI=1S/C42H48N4O.Pt/c1-28(2)31-22-37(29(3)4)41(38(23-31)30(5)6)32-20-34(45-19-18-43(9)26-45)25-36(21-32)47-35-15-13-14-33(24-35)46-27-44(10)42(7,8)39-16-11-12-17-40(39)46;/h11-23,26-30H,1-10H3;/q-4;+4
• InChIKey: ABOTUTPPPUSOGH-UHFFFAOYSA-N
• XLogP: 10.89
• TPSA: 22.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.95
LogP ≤ 5	10.89
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 platinum(4+);3,4,4-trimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-quinazolin-2-ide?

The IUPAC name of platinum(4+);3,4,4-trimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-quinazolin-2-ide (CID 164705343) is platinum(4+);3,4,4-trimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-quinazolin-2-ide.

What is the SMILES notation for platinum(4+);3,4,4-trimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-quinazolin-2-ide?

The canonical SMILES for platinum(4+);3,4,4-trimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-quinazolin-2-ide is CC(C)c1cc(C(C)C)c(-c2cc(Oc3[c-]c(N4[CH-]N(C)C(C)(C)c5ccccc54)ccc3)[c-]c(N3C=CN(C)[CH-]3)c2)c(C(C)C)c1.[Pt+4].

What is the InChIKey of platinum(4+);3,4,4-trimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-quinazolin-2-ide?

The InChIKey is ABOTUTPPPUSOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H48N4O.Pt/c1-28(2)31-22-37(29(3)4)41(38(23-31)30(5)6)32-20-34(45-19-18-43(9)26-45)25-36(21-32)47-35-15-13-14-33(24-35)46-27-44(10)42(7,8)39-16-11-12-17-40(39)46;/h11-23,26-30H,1-10H3;/q-4;+4.

What are the key properties of platinum(4+);3,4,4-trimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-quinazolin-2-ide?

platinum(4+);3,4,4-trimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-quinazolin-2-ide has a molecular weight of 819.95 g/mol, XLogP of 10.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(4+);3,4,4-trimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-quinazolin-2-ide is sourced from PubChem (CID 164705343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).