4-[3-tert-butyl-5-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)-2-(phenoxy)benzimidazole;platinum(2+)

C62H56N4OPt — CID 164845210

About 4-[3-tert-butyl-5-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)-2-(phenoxy)benzimidazole;platinum(2+)

4-[3-tert-butyl-5-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)-2-(phenoxy)benzimidazole;platinum(2+) (PubChem CID 164845210) has the molecular formula C62H56N4OPt and a molecular weight of 1068.24 g/mol. Its IUPAC name is 4-[3-tert-butyl-5-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)-2-(phenoxy)benzimidazole;platinum(2+).

Molecular Properties

• Compound Name: 4-[3-tert-butyl-5-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)-2-(phenoxy)benzimidazole;platinum(2+)
• PubChem CID: 164845210
• Molecular Formula: C62H56N4OPt
• Molecular Weight: 1068.24 g/mol
• Exact Mass: 1067.41
• IUPAC Name: 4-[3-tert-butyl-5-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)-2-(phenoxy)benzimidazole;platinum(2+)
• SMILES: CC(C)(C)c1cc(-c2cccc3c2nc(Oc2[c-]cccc2)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)[c-]c(-c2nc3ccccc3n2-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt+2]
• InChI: InChI=1S/C62H56N4O.Pt/c1-60(2,3)45-32-34-53(50(39-45)41-22-13-10-14-23-41)65-55-30-20-19-29-52(55)63-58(65)44-36-43(37-47(38-44)62(7,8)9)49-28-21-31-56-57(49)64-59(67-48-26-17-12-18-27-48)66(56)54-35-33-46(61(4,5)6)40-51(54)42-24-15-11-16-25-42;/h10-26,28-35,37-40H,1-9H3;/q-2;+2
• InChIKey: BLISESGNTXBKTC-UHFFFAOYSA-N
• XLogP: 16.32
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1068.24
LogP ≤ 5	16.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-tert-butyl-5-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)-2-(phenoxy)benzimidazole;platinum(2+)?

The IUPAC name of 4-[3-tert-butyl-5-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)-2-(phenoxy)benzimidazole;platinum(2+) (CID 164845210) is 4-[3-tert-butyl-5-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)-2-(phenoxy)benzimidazole;platinum(2+).

What is the SMILES notation for 4-[3-tert-butyl-5-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)-2-(phenoxy)benzimidazole;platinum(2+)?

The canonical SMILES for 4-[3-tert-butyl-5-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)-2-(phenoxy)benzimidazole;platinum(2+) is CC(C)(C)c1cc(-c2cccc3c2nc(Oc2[c-]cccc2)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)[c-]c(-c2nc3ccccc3n2-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt+2].

What is the InChIKey of 4-[3-tert-butyl-5-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)-2-(phenoxy)benzimidazole;platinum(2+)?

The InChIKey is BLISESGNTXBKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H56N4O.Pt/c1-60(2,3)45-32-34-53(50(39-45)41-22-13-10-14-23-41)65-55-30-20-19-29-52(55)63-58(65)44-36-43(37-47(38-44)62(7,8)9)49-28-21-31-56-57(49)64-59(67-48-26-17-12-18-27-48)66(56)54-35-33-46(61(4,5)6)40-51(54)42-24-15-11-16-25-42;/h10-26,28-35,37-40H,1-9H3;/q-2;+2.

What are the key properties of 4-[3-tert-butyl-5-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)-2-(phenoxy)benzimidazole;platinum(2+)?

4-[3-tert-butyl-5-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)-2-(phenoxy)benzimidazole;platinum(2+) has a molecular weight of 1068.24 g/mol, XLogP of 16.32, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-tert-butyl-5-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)-2-(phenoxy)benzimidazole;platinum(2+) is sourced from PubChem (CID 164845210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).