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

C59H46N3OPt- — CID 153481711

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

2-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 153481711) has the molecular formula C59H46N3OPt- and a molecular weight of 1008.12 g/mol. Its IUPAC name is 2-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 153481711
• Molecular Formula: C59H46N3OPt-
• Molecular Weight: 1008.12 g/mol
• Exact Mass: 1007.33
• IUPAC Name: 2-[1-(4-tert-butyl-2,5-diphenylphenyl)-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(-c4ccccc4O)n5-c4cc(-c5ccccc5)c(C(C)(C)C)cc4-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1.[Pt]
• InChI: InChI=1S/C59H46N3O.Pt/c1-39-27-29-41(30-28-39)44-31-32-60-53(36-44)47-34-45(40-17-8-5-9-18-40)33-46(35-47)48-24-16-25-54-57(48)61-58(49-23-14-15-26-56(49)63)62(54)55-38-50(42-19-10-6-11-20-42)52(59(2,3)4)37-51(55)43-21-12-7-13-22-43;/h5-34,36-38,63H,1-4H3;/q-1
• InChIKey: YANUBKJKQPLEIL-UHFFFAOYSA-N
• XLogP: 15.20
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1008.12
LogP ≤ 5	15.20
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-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 153481711) is 2-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[1-(4-tert-butyl-2,5-diphenylphenyl)-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(-c4ccccc4O)n5-c4cc(-c5ccccc5)c(C(C)(C)C)cc4-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1.[Pt].

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

The InChIKey is YANUBKJKQPLEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H46N3O.Pt/c1-39-27-29-41(30-28-39)44-31-32-60-53(36-44)47-34-45(40-17-8-5-9-18-40)33-46(35-47)48-24-16-25-54-57(48)61-58(49-23-14-15-26-56(49)63)62(54)55-38-50(42-19-10-6-11-20-42)52(59(2,3)4)37-51(55)43-21-12-7-13-22-43;/h5-34,36-38,63H,1-4H3;/q-1;.

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

2-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1008.12 g/mol, XLogP of 15.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 153481711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).