2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

C46H44N3OPt- — CID 140832375

About 2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 140832375) has the molecular formula C46H44N3OPt- and a molecular weight of 849.96 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 140832375
• Molecular Formula: C46H44N3OPt-
• Molecular Weight: 849.96 g/mol
• Exact Mass: 849.31
• IUPAC Name: 2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: Cc1cnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4C)cc(-c3ccccc3)c2)cc1-c1ccccc1.[Pt]
• InChI: InChI=1S/C46H44N3O.Pt/c1-29-28-47-40(27-37(29)31-18-13-10-14-19-31)34-23-32(30-16-11-9-12-17-30)22-33(24-34)36-20-15-21-41-42(36)48-44(49(41)8)38-25-35(45(2,3)4)26-39(43(38)50)46(5,6)7;/h9-23,25-28,50H,1-8H3;/q-1
• InChIKey: PAOAUVDEBGNSTR-UHFFFAOYSA-N
• XLogP: 11.71
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.96
LogP ≤ 5	11.71
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-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 140832375) is 2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is Cc1cnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4C)cc(-c3ccccc3)c2)cc1-c1ccccc1.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is PAOAUVDEBGNSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H44N3O.Pt/c1-29-28-47-40(27-37(29)31-18-13-10-14-19-31)34-23-32(30-16-11-9-12-17-30)22-33(24-34)36-20-15-21-41-42(36)48-44(49(41)8)38-25-35(45(2,3)4)26-39(43(38)50)46(5,6)7;/h9-23,25-28,50H,1-8H3;/q-1;.

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

2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 849.96 g/mol, XLogP of 11.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 140832375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).