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

C59H55N4OPt- — CID 164742532

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

2-tert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-(4-phenyl-2-pyridinyl)-5-(1-pyridin-4-ylethyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 164742532) has the molecular formula C59H55N4OPt- and a molecular weight of 1031.19 g/mol. Its IUPAC name is 2-tert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-(4-phenyl-2-pyridinyl)-5-(1-pyridin-4-ylethyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-tert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-(4-phenyl-2-pyridinyl)-5-(1-pyridin-4-ylethyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 164742532
• Molecular Formula: C59H55N4OPt-
• Molecular Weight: 1031.19 g/mol
• Exact Mass: 1030.40
• IUPAC Name: 2-tert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-(4-phenyl-2-pyridinyl)-5-(1-pyridin-4-ylethyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cccc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(C(C)c4ccncc4)c3)cccc21.[Pt]
• InChI: InChI=1S/C59H55N4O.Pt/c1-37(2)50-34-45(42-19-13-10-14-20-42)35-51(38(3)4)56(50)63-54-24-16-21-48(55(54)62-58(63)49-22-15-23-52(57(49)64)59(6,7)8)46-31-44(39(5)40-25-28-60-29-26-40)32-47(33-46)53-36-43(27-30-61-53)41-17-11-9-12-18-41;/h9-32,34-39,64H,1-8H3;/q-1
• InChIKey: GUHTZCKLTUIJCA-UHFFFAOYSA-N
• XLogP: 15.35
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1031.19
LogP ≤ 5	15.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-tert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-(4-phenyl-2-pyridinyl)-5-(1-pyridin-4-ylethyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 164742532) is 2-tert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-(4-phenyl-2-pyridinyl)-5-(1-pyridin-4-ylethyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-tert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-(4-phenyl-2-pyridinyl)-5-(1-pyridin-4-ylethyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cccc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(C(C)c4ccncc4)c3)cccc21.[Pt].

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

The InChIKey is GUHTZCKLTUIJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H55N4O.Pt/c1-37(2)50-34-45(42-19-13-10-14-20-42)35-51(38(3)4)56(50)63-54-24-16-21-48(55(54)62-58(63)49-22-15-23-52(57(49)64)59(6,7)8)46-31-44(39(5)40-25-28-60-29-26-40)32-47(33-46)53-36-43(27-30-61-53)41-17-11-9-12-18-41;/h9-32,34-39,64H,1-8H3;/q-1;.

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

2-tert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-(4-phenyl-2-pyridinyl)-5-(1-pyridin-4-ylethyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1031.19 g/mol, XLogP of 15.35, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-(4-phenyl-2-pyridinyl)-5-(1-pyridin-4-ylethyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164742532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).