2-[1-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum

C60H64N3OPt- — CID 153476703

About 2-[1-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum

2-[1-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum (PubChem CID 153476703) has the molecular formula C60H64N3OPt- and a molecular weight of 1038.27 g/mol. Its IUPAC name is 2-[1-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum
• PubChem CID: 153476703
• Molecular Formula: C60H64N3OPt-
• Molecular Weight: 1038.27 g/mol
• Exact Mass: 1037.47
• IUPAC Name: 2-[1-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum
• SMILES: CC(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(C(C)(C)C)c4)cccc3n2-c2ccc(C(C)(C)C)cc2-c2ccc(C(C)(C)C)cc2)c(O)c(C(C)C)c1.[Pt]
• InChI: InChI=1S/C60H64N3O.Pt/c1-37(2)42-33-49(38(3)4)56(64)51(34-42)57-62-55-48(43-30-44(32-47(31-43)60(11,12)13)52-35-41(28-29-61-52)39-18-15-14-16-19-39)20-17-21-54(55)63(57)53-27-26-46(59(8,9)10)36-50(53)40-22-24-45(25-23-40)58(5,6)7;/h14-29,31-38,64H,1-13H3;/q-1
• InChIKey: GHGUIVOHMATBRN-UHFFFAOYSA-N
• XLogP: 16.40
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1038.27
LogP ≤ 5	16.40
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-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum?

The IUPAC name of 2-[1-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum (CID 153476703) is 2-[1-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum.

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

The canonical SMILES for 2-[1-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum is CC(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(C(C)(C)C)c4)cccc3n2-c2ccc(C(C)(C)C)cc2-c2ccc(C(C)(C)C)cc2)c(O)c(C(C)C)c1.[Pt].

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

The InChIKey is GHGUIVOHMATBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H64N3O.Pt/c1-37(2)42-33-49(38(3)4)56(64)51(34-42)57-62-55-48(43-30-44(32-47(31-43)60(11,12)13)52-35-41(28-29-61-52)39-18-15-14-16-19-39)20-17-21-54(55)63(57)53-27-26-46(59(8,9)10)36-50(53)40-22-24-45(25-23-40)58(5,6)7;/h14-29,31-38,64H,1-13H3;/q-1;.

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

2-[1-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum has a molecular weight of 1038.27 g/mol, XLogP of 16.40, 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-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum is sourced from PubChem (CID 153476703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).