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

C62H60N3OPt- — CID 153480051

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

2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum (PubChem CID 153480051) has the molecular formula C62H60N3OPt- and a molecular weight of 1058.26 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum
• PubChem CID: 153480051
• Molecular Formula: C62H60N3OPt-
• Molecular Weight: 1058.26 g/mol
• Exact Mass: 1057.44
• IUPAC Name: 2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum
• SMILES: CC(C)Cc1cc(-n2c(-c3cc(C(C)C)cc(C(C)C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(C(C)(C)C)c4)cccc32)ccc1-c1ccccc1.[Pt]
• InChI: InChI=1S/C62H60N3O.Pt/c1-39(2)31-48-35-52(27-28-53(48)45-19-14-11-15-20-45)65-58-22-16-21-54(59(58)64-61(65)56-37-47(40(3)4)36-55(41(5)6)60(56)66)49-32-50(34-51(33-49)62(7,8)9)57-38-46(29-30-63-57)44-25-23-43(24-26-44)42-17-12-10-13-18-42;/h10-30,33-41,66H,31H2,1-9H3;/q-1
• InChIKey: HAWHEJATHPLKSH-UHFFFAOYSA-N
• XLogP: 16.67
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1058.26
LogP ≤ 5	16.67
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-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum?

The IUPAC name of 2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum (CID 153480051) is 2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum.

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

The canonical SMILES for 2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum is CC(C)Cc1cc(-n2c(-c3cc(C(C)C)cc(C(C)C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(C(C)(C)C)c4)cccc32)ccc1-c1ccccc1.[Pt].

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

The InChIKey is HAWHEJATHPLKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H60N3O.Pt/c1-39(2)31-48-35-52(27-28-53(48)45-19-14-11-15-20-45)65-58-22-16-21-54(59(58)64-61(65)56-37-47(40(3)4)36-55(41(5)6)60(56)66)49-32-50(34-51(33-49)62(7,8)9)57-38-46(29-30-63-57)44-25-23-43(24-26-44)42-17-12-10-13-18-42;/h10-30,33-41,66H,31H2,1-9H3;/q-1;.

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

2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum has a molecular weight of 1058.26 g/mol, XLogP of 16.67, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum is sourced from PubChem (CID 153480051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).