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

C31H28N4OPt — CID 164705429

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

platinum(4+);1,1,2-trimethyl-4-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-benzo[f]quinazolin-3-ide (PubChem CID 164705429) has the molecular formula C31H28N4OPt and a molecular weight of 667.67 g/mol. Its IUPAC name is platinum(4+);1,1,2-trimethyl-4-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-benzo[f]quinazolin-3-ide.

Molecular Properties

• Compound Name: platinum(4+);1,1,2-trimethyl-4-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-benzo[f]quinazolin-3-ide
• PubChem CID: 164705429
• Molecular Formula: C31H28N4OPt
• Molecular Weight: 667.67 g/mol
• Exact Mass: 667.19
• IUPAC Name: platinum(4+);1,1,2-trimethyl-4-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-benzo[f]quinazolin-3-ide
• SMILES: CN1C=CN(c2[c-]c(Oc3[c-]c(N4[CH-]N(C)C(C)(C)c5c4ccc4ccccc54)ccc3)ccc2)[CH-]1.[Pt+4]
• InChI: InChI=1S/C31H28N4O.Pt/c1-31(2)30-28-14-6-5-9-23(28)15-16-29(30)35(22-33(31)4)25-11-8-13-27(20-25)36-26-12-7-10-24(19-26)34-18-17-32(3)21-34;/h5-18,21-22H,1-4H3;/q-4;+4
• InChIKey: WPOFDSSMTCLBSS-UHFFFAOYSA-N
• XLogP: 7.01
• TPSA: 22.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.67
LogP ≤ 5	7.01
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+);1,1,2-trimethyl-4-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-benzo[f]quinazolin-3-ide?

The IUPAC name of platinum(4+);1,1,2-trimethyl-4-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-benzo[f]quinazolin-3-ide (CID 164705429) is platinum(4+);1,1,2-trimethyl-4-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-benzo[f]quinazolin-3-ide.

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

The canonical SMILES for platinum(4+);1,1,2-trimethyl-4-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-benzo[f]quinazolin-3-ide is CN1C=CN(c2[c-]c(Oc3[c-]c(N4[CH-]N(C)C(C)(C)c5c4ccc4ccccc54)ccc3)ccc2)[CH-]1.[Pt+4].

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

The InChIKey is WPOFDSSMTCLBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O.Pt/c1-31(2)30-28-14-6-5-9-23(28)15-16-29(30)35(22-33(31)4)25-11-8-13-27(20-25)36-26-12-7-10-24(19-26)34-18-17-32(3)21-34;/h5-18,21-22H,1-4H3;/q-4;+4.

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

platinum(4+);1,1,2-trimethyl-4-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-benzo[f]quinazolin-3-ide has a molecular weight of 667.67 g/mol, XLogP of 7.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(4+);1,1,2-trimethyl-4-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-benzo[f]quinazolin-3-ide is sourced from PubChem (CID 164705429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).