4-tert-butyl-2-methyl-6-[1-(4-methyl-2-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

C55H46N3OPt- — CID 164701277

About 4-tert-butyl-2-methyl-6-[1-(4-methyl-2-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

4-tert-butyl-2-methyl-6-[1-(4-methyl-2-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 164701277) has the molecular formula C55H46N3OPt- and a molecular weight of 960.07 g/mol. Its IUPAC name is 4-tert-butyl-2-methyl-6-[1-(4-methyl-2-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-methyl-6-[1-(4-methyl-2-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 164701277
• Molecular Formula: C55H46N3OPt-
• Molecular Weight: 960.07 g/mol
• Exact Mass: 959.33
• IUPAC Name: 4-tert-butyl-2-methyl-6-[1-(4-methyl-2-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: Cc1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)(C)C)cc(C)c4O)n5-c4ccc(C)cc4-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1.[Pt]
• InChI: InChI=1S/C55H46N3O.Pt/c1-35-20-23-39(24-21-35)41-26-27-56-49(33-41)44-31-42(38-14-9-7-10-15-38)30-43(32-44)46-18-13-19-51-52(46)57-54(48-34-45(55(4,5)6)29-37(3)53(48)59)58(51)50-25-22-36(2)28-47(50)40-16-11-8-12-17-40;/h7-31,33-34,59H,1-6H3;/q-1
• InChIKey: PJBXOWZTIWKWDI-UHFFFAOYSA-N
• XLogP: 14.15
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	960.07
LogP ≤ 5	14.15
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 4-tert-butyl-2-methyl-6-[1-(4-methyl-2-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 4-tert-butyl-2-methyl-6-[1-(4-methyl-2-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 164701277) is 4-tert-butyl-2-methyl-6-[1-(4-methyl-2-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 4-tert-butyl-2-methyl-6-[1-(4-methyl-2-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 4-tert-butyl-2-methyl-6-[1-(4-methyl-2-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is Cc1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)(C)C)cc(C)c4O)n5-c4ccc(C)cc4-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1.[Pt].

What is the InChIKey of 4-tert-butyl-2-methyl-6-[1-(4-methyl-2-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is PJBXOWZTIWKWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H46N3O.Pt/c1-35-20-23-39(24-21-35)41-26-27-56-49(33-41)44-31-42(38-14-9-7-10-15-38)30-43(32-44)46-18-13-19-51-52(46)57-54(48-34-45(55(4,5)6)29-37(3)53(48)59)58(51)50-25-22-36(2)28-47(50)40-16-11-8-12-17-40;/h7-31,33-34,59H,1-6H3;/q-1;.

What are the key properties of 4-tert-butyl-2-methyl-6-[1-(4-methyl-2-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

4-tert-butyl-2-methyl-6-[1-(4-methyl-2-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 960.07 g/mol, XLogP of 14.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-methyl-6-[1-(4-methyl-2-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164701277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).