8-methyl-2-phenyl-5-[6-[(4-phenyl-6-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-6H-thieno[2,3-h]quinazolin-6-ide;platinum(2+)

C40H23F3N4OPtS — CID 165168055

About 8-methyl-2-phenyl-5-[6-[(4-phenyl-6-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-6H-thieno[2,3-h]quinazolin-6-ide;platinum(2+)

8-methyl-2-phenyl-5-[6-[(4-phenyl-6-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-6H-thieno[2,3-h]quinazolin-6-ide;platinum(2+) (PubChem CID 165168055) has the molecular formula C40H23F3N4OPtS and a molecular weight of 859.79 g/mol. Its IUPAC name is 8-methyl-2-phenyl-5-[6-[(4-phenyl-6-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-6H-thieno[2,3-h]quinazolin-6-ide;platinum(2+).

Molecular Properties

• Compound Name: 8-methyl-2-phenyl-5-[6-[(4-phenyl-6-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-6H-thieno[2,3-h]quinazolin-6-ide;platinum(2+)
• PubChem CID: 165168055
• Molecular Formula: C40H23F3N4OPtS
• Molecular Weight: 859.79 g/mol
• Exact Mass: 859.12
• IUPAC Name: 8-methyl-2-phenyl-5-[6-[(4-phenyl-6-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-6H-thieno[2,3-h]quinazolin-6-ide;platinum(2+)
• SMILES: Cc1cc2c([c-]c(-c3ccc(C(F)(F)F)c(Oc4cc(-c5ccccc5)cc(-c5[c-]cccc5)n4)n3)c3cnc(-c4ccccc4)nc32)s1.[Pt+2]
• InChI: InChI=1S/C40H23F3N4OS.Pt/c1-24-19-30-35(49-24)22-29(31-23-44-38(47-37(30)31)27-15-9-4-10-16-27)33-18-17-32(40(41,42)43)39(46-33)48-36-21-28(25-11-5-2-6-12-25)20-34(45-36)26-13-7-3-8-14-26;/h2-13,15-21,23H,1H3;/q-2;+2
• InChIKey: ZZLVYOGTXSTSRY-UHFFFAOYSA-N
• XLogP: 11.02
• TPSA: 60.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.79
LogP ≤ 5	11.02
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 8-methyl-2-phenyl-5-[6-[(4-phenyl-6-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-6H-thieno[2,3-h]quinazolin-6-ide;platinum(2+)?

The IUPAC name of 8-methyl-2-phenyl-5-[6-[(4-phenyl-6-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-6H-thieno[2,3-h]quinazolin-6-ide;platinum(2+) (CID 165168055) is 8-methyl-2-phenyl-5-[6-[(4-phenyl-6-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-6H-thieno[2,3-h]quinazolin-6-ide;platinum(2+).

What is the SMILES notation for 8-methyl-2-phenyl-5-[6-[(4-phenyl-6-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-6H-thieno[2,3-h]quinazolin-6-ide;platinum(2+)?

The canonical SMILES for 8-methyl-2-phenyl-5-[6-[(4-phenyl-6-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-6H-thieno[2,3-h]quinazolin-6-ide;platinum(2+) is Cc1cc2c([c-]c(-c3ccc(C(F)(F)F)c(Oc4cc(-c5ccccc5)cc(-c5[c-]cccc5)n4)n3)c3cnc(-c4ccccc4)nc32)s1.[Pt+2].

What is the InChIKey of 8-methyl-2-phenyl-5-[6-[(4-phenyl-6-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-6H-thieno[2,3-h]quinazolin-6-ide;platinum(2+)?

The InChIKey is ZZLVYOGTXSTSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23F3N4OS.Pt/c1-24-19-30-35(49-24)22-29(31-23-44-38(47-37(30)31)27-15-9-4-10-16-27)33-18-17-32(40(41,42)43)39(46-33)48-36-21-28(25-11-5-2-6-12-25)20-34(45-36)26-13-7-3-8-14-26;/h2-13,15-21,23H,1H3;/q-2;+2.

What are the key properties of 8-methyl-2-phenyl-5-[6-[(4-phenyl-6-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-6H-thieno[2,3-h]quinazolin-6-ide;platinum(2+)?

8-methyl-2-phenyl-5-[6-[(4-phenyl-6-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-6H-thieno[2,3-h]quinazolin-6-ide;platinum(2+) has a molecular weight of 859.79 g/mol, XLogP of 11.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-2-phenyl-5-[6-[(4-phenyl-6-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-6H-thieno[2,3-h]quinazolin-6-ide;platinum(2+) is sourced from PubChem (CID 165168055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).