2-[1-[2,6-di(propan-2-yl)phenyl]-4-(3-quinolin-2-ylbenzene-2-id-1-yl)imidazol-2-yl]phenol;platinum

C36H32N3OPt- — CID 171420086

About 2-[1-[2,6-di(propan-2-yl)phenyl]-4-(3-quinolin-2-ylbenzene-2-id-1-yl)imidazol-2-yl]phenol;platinum

2-[1-[2,6-di(propan-2-yl)phenyl]-4-(3-quinolin-2-ylbenzene-2-id-1-yl)imidazol-2-yl]phenol;platinum (PubChem CID 171420086) has the molecular formula C36H32N3OPt- and a molecular weight of 717.75 g/mol. Its IUPAC name is 2-[1-[2,6-di(propan-2-yl)phenyl]-4-(3-quinolin-2-ylbenzene-2-id-1-yl)imidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[2,6-di(propan-2-yl)phenyl]-4-(3-quinolin-2-ylbenzene-2-id-1-yl)imidazol-2-yl]phenol;platinum
• PubChem CID: 171420086
• Molecular Formula: C36H32N3OPt-
• Molecular Weight: 717.75 g/mol
• Exact Mass: 717.22
• IUPAC Name: 2-[1-[2,6-di(propan-2-yl)phenyl]-4-(3-quinolin-2-ylbenzene-2-id-1-yl)imidazol-2-yl]phenol;platinum
• SMILES: CC(C)c1cccc(C(C)C)c1-n1cc(-c2[c-]c(-c3ccc4ccccc4n3)ccc2)nc1-c1ccccc1O.[Pt]
• InChI: InChI=1S/C36H32N3O.Pt/c1-23(2)28-15-10-16-29(24(3)4)35(28)39-22-33(38-36(39)30-14-6-8-18-34(30)40)27-13-9-12-26(21-27)32-20-19-25-11-5-7-17-31(25)37-32;/h5-20,22-24,40H,1-4H3;/q-1
• InChIKey: LOQWANUJDVJHPX-UHFFFAOYSA-N
• XLogP: 9.17
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.75
LogP ≤ 5	9.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2,6-di(propan-2-yl)phenyl]-4-(3-quinolin-2-ylbenzene-2-id-1-yl)imidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-[2,6-di(propan-2-yl)phenyl]-4-(3-quinolin-2-ylbenzene-2-id-1-yl)imidazol-2-yl]phenol;platinum (CID 171420086) is 2-[1-[2,6-di(propan-2-yl)phenyl]-4-(3-quinolin-2-ylbenzene-2-id-1-yl)imidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[1-[2,6-di(propan-2-yl)phenyl]-4-(3-quinolin-2-ylbenzene-2-id-1-yl)imidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[1-[2,6-di(propan-2-yl)phenyl]-4-(3-quinolin-2-ylbenzene-2-id-1-yl)imidazol-2-yl]phenol;platinum is CC(C)c1cccc(C(C)C)c1-n1cc(-c2[c-]c(-c3ccc4ccccc4n3)ccc2)nc1-c1ccccc1O.[Pt].

What is the InChIKey of 2-[1-[2,6-di(propan-2-yl)phenyl]-4-(3-quinolin-2-ylbenzene-2-id-1-yl)imidazol-2-yl]phenol;platinum?

The InChIKey is LOQWANUJDVJHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N3O.Pt/c1-23(2)28-15-10-16-29(24(3)4)35(28)39-22-33(38-36(39)30-14-6-8-18-34(30)40)27-13-9-12-26(21-27)32-20-19-25-11-5-7-17-31(25)37-32;/h5-20,22-24,40H,1-4H3;/q-1;.

What are the key properties of 2-[1-[2,6-di(propan-2-yl)phenyl]-4-(3-quinolin-2-ylbenzene-2-id-1-yl)imidazol-2-yl]phenol;platinum?

2-[1-[2,6-di(propan-2-yl)phenyl]-4-(3-quinolin-2-ylbenzene-2-id-1-yl)imidazol-2-yl]phenol;platinum has a molecular weight of 717.75 g/mol, XLogP of 9.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2,6-di(propan-2-yl)phenyl]-4-(3-quinolin-2-ylbenzene-2-id-1-yl)imidazol-2-yl]phenol;platinum is sourced from PubChem (CID 171420086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).