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

C44H40N3OPt- — CID 140832717

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

2,4-ditert-butyl-6-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 140832717) has the molecular formula C44H40N3OPt- and a molecular weight of 821.90 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 140832717
• Molecular Formula: C44H40N3OPt-
• Molecular Weight: 821.90 g/mol
• Exact Mass: 821.28
• IUPAC Name: 2,4-ditert-butyl-6-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)ccc4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C44H40N3O.Pt/c1-43(2,3)33-27-36(41(48)37(28-33)44(4,5)6)42-46-40-35(21-14-22-39(40)47(42)34-19-11-8-12-20-34)31-17-13-18-32(25-31)38-26-30(23-24-45-38)29-15-9-7-10-16-29;/h7-24,26-28,48H,1-6H3;/q-1
• InChIKey: RIIUVMZJYMTQCI-UHFFFAOYSA-N
• XLogP: 11.19
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.90
LogP ≤ 5	11.19
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-phenyl-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 140832717) is 2,4-ditert-butyl-6-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2,4-ditert-butyl-6-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)ccc4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].

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

The InChIKey is RIIUVMZJYMTQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H40N3O.Pt/c1-43(2,3)33-27-36(41(48)37(28-33)44(4,5)6)42-46-40-35(21-14-22-39(40)47(42)34-19-11-8-12-20-34)31-17-13-18-32(25-31)38-26-30(23-24-45-38)29-15-9-7-10-16-29;/h7-24,26-28,48H,1-6H3;/q-1;.

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

2,4-ditert-butyl-6-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 821.90 g/mol, XLogP of 11.19, 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-phenyl-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 140832717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).