4-tert-butyl-2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]-6-phenylphenol;platinum

C64H62N3OPt- — CID 164713089

About 4-tert-butyl-2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]-6-phenylphenol;platinum

4-tert-butyl-2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]-6-phenylphenol;platinum (PubChem CID 164713089) has the molecular formula C64H62N3OPt- and a molecular weight of 1084.30 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]-6-phenylphenol;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]-6-phenylphenol;platinum
• PubChem CID: 164713089
• Molecular Formula: C64H62N3OPt-
• Molecular Weight: 1084.30 g/mol
• Exact Mass: 1083.45
• IUPAC Name: 4-tert-butyl-2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]-6-phenylphenol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(-c4ccccc4)c2O)n3-c2ccc(C3(C)CCC(C)(c4ccccc4)CC3)cc2)c1.[Pt]
• InChI: InChI=1S/C64H62N3O.Pt/c1-61(2,3)50-38-46(37-47(39-50)56-40-45(31-36-65-56)43-19-12-9-13-20-43)53-25-18-26-57-58(53)66-60(55-42-51(62(4,5)6)41-54(59(55)68)44-21-14-10-15-22-44)67(57)52-29-27-49(28-30-52)64(8)34-32-63(7,33-35-64)48-23-16-11-17-24-48;/h9-31,36,38-42,68H,32-35H2,1-8H3;/q-1
• InChIKey: NNULRWUKUUBTDG-UHFFFAOYSA-N
• XLogP: 16.64
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1084.30
LogP ≤ 5	16.64
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-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]-6-phenylphenol;platinum?

The IUPAC name of 4-tert-butyl-2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]-6-phenylphenol;platinum (CID 164713089) is 4-tert-butyl-2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]-6-phenylphenol;platinum.

What is the SMILES notation for 4-tert-butyl-2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]-6-phenylphenol;platinum?

The canonical SMILES for 4-tert-butyl-2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]-6-phenylphenol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(-c4ccccc4)c2O)n3-c2ccc(C3(C)CCC(C)(c4ccccc4)CC3)cc2)c1.[Pt].

What is the InChIKey of 4-tert-butyl-2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]-6-phenylphenol;platinum?

The InChIKey is NNULRWUKUUBTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H62N3O.Pt/c1-61(2,3)50-38-46(37-47(39-50)56-40-45(31-36-65-56)43-19-12-9-13-20-43)53-25-18-26-57-58(53)66-60(55-42-51(62(4,5)6)41-54(59(55)68)44-21-14-10-15-22-44)67(57)52-29-27-49(28-30-52)64(8)34-32-63(7,33-35-64)48-23-16-11-17-24-48;/h9-31,36,38-42,68H,32-35H2,1-8H3;/q-1;.

What are the key properties of 4-tert-butyl-2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]-6-phenylphenol;platinum?

4-tert-butyl-2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]-6-phenylphenol;platinum has a molecular weight of 1084.30 g/mol, XLogP of 16.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]-6-phenylphenol;platinum is sourced from PubChem (CID 164713089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).