4-tert-butyl-2-methyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

C58H52N3OPt- — CID 153478743

About 4-tert-butyl-2-methyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

4-tert-butyl-2-methyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 153478743) has the molecular formula C58H52N3OPt- and a molecular weight of 1002.15 g/mol. Its IUPAC name is 4-tert-butyl-2-methyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-methyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 153478743
• Molecular Formula: C58H52N3OPt-
• Molecular Weight: 1002.15 g/mol
• Exact Mass: 1001.38
• IUPAC Name: 4-tert-butyl-2-methyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: CCC(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(-c5ccccc5)c4)cccc32)c(-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C58H52N3O.Pt/c1-8-58(6,7)46-27-28-52(49(36-46)41-23-16-11-17-24-41)61-53-26-18-25-48(54(53)60-56(61)50-37-47(57(3,4)5)31-38(2)55(50)62)44-32-43(40-21-14-10-15-22-40)33-45(34-44)51-35-42(29-30-59-51)39-19-12-9-13-20-39;/h9-33,35-37,62H,8H2,1-7H3;/q-1
• InChIKey: WQENBMBYEIVNPZ-UHFFFAOYSA-N
• XLogP: 15.22
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1002.15
LogP ≤ 5	15.22
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-methyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 4-tert-butyl-2-methyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 153478743) is 4-tert-butyl-2-methyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 4-tert-butyl-2-methyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is CCC(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(-c5ccccc5)c4)cccc32)c(-c2ccccc2)c1.[Pt].

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

The InChIKey is WQENBMBYEIVNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H52N3O.Pt/c1-8-58(6,7)46-27-28-52(49(36-46)41-23-16-11-17-24-41)61-53-26-18-25-48(54(53)60-56(61)50-37-47(57(3,4)5)31-38(2)55(50)62)44-32-43(40-21-14-10-15-22-40)33-45(34-44)51-35-42(29-30-59-51)39-19-12-9-13-20-39;/h9-33,35-37,62H,8H2,1-7H3;/q-1;.

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

4-tert-butyl-2-methyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1002.15 g/mol, XLogP of 15.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-methyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 153478743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).