4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenyl-4-propylphenyl)benzimidazol-2-yl]-6-methylphenol;platinum

C58H60N3OPt- — CID 164701160

About 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenyl-4-propylphenyl)benzimidazol-2-yl]-6-methylphenol;platinum

4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenyl-4-propylphenyl)benzimidazol-2-yl]-6-methylphenol;platinum (PubChem CID 164701160) has the molecular formula C58H60N3OPt- and a molecular weight of 1010.22 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenyl-4-propylphenyl)benzimidazol-2-yl]-6-methylphenol;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenyl-4-propylphenyl)benzimidazol-2-yl]-6-methylphenol;platinum
• PubChem CID: 164701160
• Molecular Formula: C58H60N3OPt-
• Molecular Weight: 1010.22 g/mol
• Exact Mass: 1009.44
• IUPAC Name: 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenyl-4-propylphenyl)benzimidazol-2-yl]-6-methylphenol;platinum
• SMILES: CCCc1ccc(-n2c(-c3cc(C(C)(C)C)cc(C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C(C)(C)C)cc6)ccn5)cc(C(C)(C)C)c4)cccc32)c(-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C58H60N3O.Pt/c1-12-17-38-22-27-51(48(31-38)40-18-14-13-15-19-40)61-52-21-16-20-47(53(52)60-55(61)49-36-45(57(6,7)8)30-37(2)54(49)62)42-32-43(34-46(33-42)58(9,10)11)50-35-41(28-29-59-50)39-23-25-44(26-24-39)56(3,4)5;/h13-16,18-31,33-36,62H,12,17H2,1-11H3;/q-1
• InChIKey: PALHDUXWDMVFSY-UHFFFAOYSA-N
• XLogP: 15.41
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1010.22
LogP ≤ 5	15.41
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-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenyl-4-propylphenyl)benzimidazol-2-yl]-6-methylphenol;platinum?

The IUPAC name of 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenyl-4-propylphenyl)benzimidazol-2-yl]-6-methylphenol;platinum (CID 164701160) is 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenyl-4-propylphenyl)benzimidazol-2-yl]-6-methylphenol;platinum.

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

The canonical SMILES for 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenyl-4-propylphenyl)benzimidazol-2-yl]-6-methylphenol;platinum is CCCc1ccc(-n2c(-c3cc(C(C)(C)C)cc(C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C(C)(C)C)cc6)ccn5)cc(C(C)(C)C)c4)cccc32)c(-c2ccccc2)c1.[Pt].

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

The InChIKey is PALHDUXWDMVFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H60N3O.Pt/c1-12-17-38-22-27-51(48(31-38)40-18-14-13-15-19-40)61-52-21-16-20-47(53(52)60-55(61)49-36-45(57(6,7)8)30-37(2)54(49)62)42-32-43(34-46(33-42)58(9,10)11)50-35-41(28-29-59-50)39-23-25-44(26-24-39)56(3,4)5;/h13-16,18-31,33-36,62H,12,17H2,1-11H3;/q-1;.

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

4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenyl-4-propylphenyl)benzimidazol-2-yl]-6-methylphenol;platinum has a molecular weight of 1010.22 g/mol, XLogP of 15.41, 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-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenyl-4-propylphenyl)benzimidazol-2-yl]-6-methylphenol;platinum is sourced from PubChem (CID 164701160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).