4-tert-butyl-2-[6-tert-butyl-4-[3-tert-butyl-5-(6-phenylquinolin-8-yl)benzene-6-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum

C46H46N3OPt- — CID 177110544

About 4-tert-butyl-2-[6-tert-butyl-4-[3-tert-butyl-5-(6-phenylquinolin-8-yl)benzene-6-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum

4-tert-butyl-2-[6-tert-butyl-4-[3-tert-butyl-5-(6-phenylquinolin-8-yl)benzene-6-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum (PubChem CID 177110544) has the molecular formula C46H46N3OPt- and a molecular weight of 851.97 g/mol. Its IUPAC name is 4-tert-butyl-2-[6-tert-butyl-4-[3-tert-butyl-5-(6-phenylquinolin-8-yl)benzene-6-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[6-tert-butyl-4-[3-tert-butyl-5-(6-phenylquinolin-8-yl)benzene-6-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum
• PubChem CID: 177110544
• Molecular Formula: C46H46N3OPt-
• Molecular Weight: 851.97 g/mol
• Exact Mass: 851.33
• IUPAC Name: 4-tert-butyl-2-[6-tert-butyl-4-[3-tert-butyl-5-(6-phenylquinolin-8-yl)benzene-6-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccccc3)cc3cccnc23)[c-]c(-c2cc(C(C)(C)C)cc3[nH]c(-c4cc(C(C)(C)C)ccc4O)nc23)c1.[Pt]
• InChI: InChI=1S/C46H46N3O.Pt/c1-44(2,3)33-17-18-40(50)38(25-33)43-48-39-27-35(46(7,8)9)26-37(42(39)49-43)32-21-31(22-34(23-32)45(4,5)6)36-24-30(28-14-11-10-12-15-28)20-29-16-13-19-47-41(29)36;/h10-20,22-27,50H,1-9H3,(H,48,49);/q-1
• InChIKey: KQCBYFSXAHBWBG-UHFFFAOYSA-N
• XLogP: 12.17
• TPSA: 61.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.97
LogP ≤ 5	12.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[6-tert-butyl-4-[3-tert-butyl-5-(6-phenylquinolin-8-yl)benzene-6-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 4-tert-butyl-2-[6-tert-butyl-4-[3-tert-butyl-5-(6-phenylquinolin-8-yl)benzene-6-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum (CID 177110544) is 4-tert-butyl-2-[6-tert-butyl-4-[3-tert-butyl-5-(6-phenylquinolin-8-yl)benzene-6-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 4-tert-butyl-2-[6-tert-butyl-4-[3-tert-butyl-5-(6-phenylquinolin-8-yl)benzene-6-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 4-tert-butyl-2-[6-tert-butyl-4-[3-tert-butyl-5-(6-phenylquinolin-8-yl)benzene-6-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccccc3)cc3cccnc23)[c-]c(-c2cc(C(C)(C)C)cc3[nH]c(-c4cc(C(C)(C)C)ccc4O)nc23)c1.[Pt].

What is the InChIKey of 4-tert-butyl-2-[6-tert-butyl-4-[3-tert-butyl-5-(6-phenylquinolin-8-yl)benzene-6-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum?

The InChIKey is KQCBYFSXAHBWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46N3O.Pt/c1-44(2,3)33-17-18-40(50)38(25-33)43-48-39-27-35(46(7,8)9)26-37(42(39)49-43)32-21-31(22-34(23-32)45(4,5)6)36-24-30(28-14-11-10-12-15-28)20-29-16-13-19-47-41(29)36;/h10-20,22-27,50H,1-9H3,(H,48,49);/q-1;.

What are the key properties of 4-tert-butyl-2-[6-tert-butyl-4-[3-tert-butyl-5-(6-phenylquinolin-8-yl)benzene-6-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum?

4-tert-butyl-2-[6-tert-butyl-4-[3-tert-butyl-5-(6-phenylquinolin-8-yl)benzene-6-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum has a molecular weight of 851.97 g/mol, XLogP of 12.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[6-tert-butyl-4-[3-tert-butyl-5-(6-phenylquinolin-8-yl)benzene-6-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 177110544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).