6-[1-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]-6-(1,1,1-trifluoropropan-2-yl)benzimidazol-2-yl]-8-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]oxy-7H-quinazolin-7-ide;platinum(2+)

C69H55F3N6OPt — CID 177293830

About 6-[1-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]-6-(1,1,1-trifluoropropan-2-yl)benzimidazol-2-yl]-8-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]oxy-7H-quinazolin-7-ide;platinum(2+)

6-[1-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]-6-(1,1,1-trifluoropropan-2-yl)benzimidazol-2-yl]-8-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]oxy-7H-quinazolin-7-ide;platinum(2+) (PubChem CID 177293830) has the molecular formula C69H55F3N6OPt and a molecular weight of 1236.31 g/mol. Its IUPAC name is 6-[1-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]-6-(1,1,1-trifluoropropan-2-yl)benzimidazol-2-yl]-8-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]oxy-7H-quinazolin-7-ide;platinum(2+).

Molecular Properties

• Compound Name: 6-[1-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]-6-(1,1,1-trifluoropropan-2-yl)benzimidazol-2-yl]-8-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]oxy-7H-quinazolin-7-ide;platinum(2+)
• PubChem CID: 177293830
• Molecular Formula: C69H55F3N6OPt
• Molecular Weight: 1236.31 g/mol
• Exact Mass: 1235.40
• IUPAC Name: 6-[1-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]-6-(1,1,1-trifluoropropan-2-yl)benzimidazol-2-yl]-8-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]oxy-7H-quinazolin-7-ide;platinum(2+)
• SMILES: Cc1cc(-c2ccc(-c3ccccc3)cc2)cc(C)c1-n1c(-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)ccc3)c3ncncc3c2)nc2ccc(C(C)C(F)(F)F)cc21.[Pt+2]
• InChI: InChI=1S/C69H55F3N6O.Pt/c1-41(2)57-35-53(47-19-12-9-13-20-47)36-58(42(3)4)66(57)77-61-24-15-14-23-59(61)75-67(77)51-21-16-22-56(34-51)79-63-38-54(33-55-39-73-40-74-64(55)63)68-76-60-30-29-50(45(7)69(70,71)72)37-62(60)78(68)65-43(5)31-52(32-44(65)6)49-27-25-48(26-28-49)46-17-10-8-11-18-46;/h8-33,35-37,39-42,45H,1-7H3;/q-2;+2
• InChIKey: FSZWMJNCGVCXDO-UHFFFAOYSA-N
• XLogP: 18.56
• TPSA: 70.65 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1236.31
LogP ≤ 5	18.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]-6-(1,1,1-trifluoropropan-2-yl)benzimidazol-2-yl]-8-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]oxy-7H-quinazolin-7-ide;platinum(2+)?

The IUPAC name of 6-[1-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]-6-(1,1,1-trifluoropropan-2-yl)benzimidazol-2-yl]-8-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]oxy-7H-quinazolin-7-ide;platinum(2+) (CID 177293830) is 6-[1-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]-6-(1,1,1-trifluoropropan-2-yl)benzimidazol-2-yl]-8-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]oxy-7H-quinazolin-7-ide;platinum(2+).

What is the SMILES notation for 6-[1-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]-6-(1,1,1-trifluoropropan-2-yl)benzimidazol-2-yl]-8-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]oxy-7H-quinazolin-7-ide;platinum(2+)?

The canonical SMILES for 6-[1-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]-6-(1,1,1-trifluoropropan-2-yl)benzimidazol-2-yl]-8-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]oxy-7H-quinazolin-7-ide;platinum(2+) is Cc1cc(-c2ccc(-c3ccccc3)cc2)cc(C)c1-n1c(-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)ccc3)c3ncncc3c2)nc2ccc(C(C)C(F)(F)F)cc21.[Pt+2].

What is the InChIKey of 6-[1-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]-6-(1,1,1-trifluoropropan-2-yl)benzimidazol-2-yl]-8-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]oxy-7H-quinazolin-7-ide;platinum(2+)?

The InChIKey is FSZWMJNCGVCXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H55F3N6O.Pt/c1-41(2)57-35-53(47-19-12-9-13-20-47)36-58(42(3)4)66(57)77-61-24-15-14-23-59(61)75-67(77)51-21-16-22-56(34-51)79-63-38-54(33-55-39-73-40-74-64(55)63)68-76-60-30-29-50(45(7)69(70,71)72)37-62(60)78(68)65-43(5)31-52(32-44(65)6)49-27-25-48(26-28-49)46-17-10-8-11-18-46;/h8-33,35-37,39-42,45H,1-7H3;/q-2;+2.

What are the key properties of 6-[1-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]-6-(1,1,1-trifluoropropan-2-yl)benzimidazol-2-yl]-8-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]oxy-7H-quinazolin-7-ide;platinum(2+)?

6-[1-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]-6-(1,1,1-trifluoropropan-2-yl)benzimidazol-2-yl]-8-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]oxy-7H-quinazolin-7-ide;platinum(2+) has a molecular weight of 1236.31 g/mol, XLogP of 18.56, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]-6-(1,1,1-trifluoropropan-2-yl)benzimidazol-2-yl]-8-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]oxy-7H-quinazolin-7-ide;platinum(2+) is sourced from PubChem (CID 177293830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).