1-[3-[3-[3-(3,5-diphenyl-4-pyridinyl)-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+)

C43H35N5OPt — CID 164705416

About 1-[3-[3-[3-(3,5-diphenyl-4-pyridinyl)-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-(3,5-diphenyl-4-pyridinyl)-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 164705416) has the molecular formula C43H35N5OPt and a molecular weight of 832.87 g/mol. Its IUPAC name is 1-[3-[3-[3-(3,5-diphenyl-4-pyridinyl)-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-(3,5-diphenyl-4-pyridinyl)-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: 164705416
• Molecular Formula: C43H35N5OPt
• Molecular Weight: 832.87 g/mol
• Exact Mass: 832.25
• IUPAC Name: 1-[3-[3-[3-(3,5-diphenyl-4-pyridinyl)-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: CN1[CH-]N(c2[c-]c(Oc3[c-]c(N4C=CN(c5c(-c6ccccc6)cncc5-c5ccccc5)[CH-]4)ccc3)ccc2)c2ccccc2C1(C)C.[Pt+4]
• InChI: InChI=1S/C43H35N5O.Pt/c1-43(2)40-22-10-11-23-41(40)48(30-45(43)3)35-19-13-21-37(27-35)49-36-20-12-18-34(26-36)46-24-25-47(31-46)42-38(32-14-6-4-7-15-32)28-44-29-39(42)33-16-8-5-9-17-33;/h4-25,28-31H,1-3H3;/q-4;+4
• InChIKey: BSLFCGCGUCHTIR-UHFFFAOYSA-N
• XLogP: 10.16
• TPSA: 35.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.87
LogP ≤ 5	10.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-(3,5-diphenyl-4-pyridinyl)-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-(3,5-diphenyl-4-pyridinyl)-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 164705416) is 1-[3-[3-[3-(3,5-diphenyl-4-pyridinyl)-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-(3,5-diphenyl-4-pyridinyl)-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-(3,5-diphenyl-4-pyridinyl)-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 CN1[CH-]N(c2[c-]c(Oc3[c-]c(N4C=CN(c5c(-c6ccccc6)cncc5-c5ccccc5)[CH-]4)ccc3)ccc2)c2ccccc2C1(C)C.[Pt+4].

What is the InChIKey of 1-[3-[3-[3-(3,5-diphenyl-4-pyridinyl)-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 BSLFCGCGUCHTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N5O.Pt/c1-43(2)40-22-10-11-23-41(40)48(30-45(43)3)35-19-13-21-37(27-35)49-36-20-12-18-34(26-36)46-24-25-47(31-46)42-38(32-14-6-4-7-15-32)28-44-29-39(42)33-16-8-5-9-17-33;/h4-25,28-31H,1-3H3;/q-4;+4.

What are the key properties of 1-[3-[3-[3-(3,5-diphenyl-4-pyridinyl)-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-(3,5-diphenyl-4-pyridinyl)-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 832.87 g/mol, XLogP of 10.16, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-[3-(3,5-diphenyl-4-pyridinyl)-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 164705416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).