2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;platinum

C54H50N3O2Pt- — CID 162783419

About 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;platinum (PubChem CID 162783419) has the molecular formula C54H50N3O2Pt- and a molecular weight of 968.09 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
• PubChem CID: 162783419
• Molecular Formula: C54H50N3O2Pt-
• Molecular Weight: 968.09 g/mol
• Exact Mass: 967.36
• IUPAC Name: 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4[c-]c(-c5ccccn5)cc5oc6ccccc6c45)cccc32)c(-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C54H50N3O2.Pt/c1-52(2,3)35-25-26-44(39(30-35)33-18-11-10-12-19-33)57-45-23-17-21-37(49(45)56-51(57)41-31-36(53(4,5)6)32-42(50(41)58)54(7,8)9)40-28-34(43-22-15-16-27-55-43)29-47-48(40)38-20-13-14-24-46(38)59-47;/h10-27,29-32,58H,1-9H3;/q-1
• InChIKey: YICAGVGSSAXHKQ-UHFFFAOYSA-N
• XLogP: 14.38
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	968.09
LogP ≤ 5	14.38
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 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;platinum (CID 162783419) is 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4[c-]c(-c5ccccn5)cc5oc6ccccc6c45)cccc32)c(-c2ccccc2)c1.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?

The InChIKey is YICAGVGSSAXHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H50N3O2.Pt/c1-52(2,3)35-25-26-44(39(30-35)33-18-11-10-12-19-33)57-45-23-17-21-37(49(45)56-51(57)41-31-36(53(4,5)6)32-42(50(41)58)54(7,8)9)40-28-34(43-22-15-16-27-55-43)29-47-48(40)38-20-13-14-24-46(38)59-47;/h10-27,29-32,58H,1-9H3;/q-1;.

What are the key properties of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?

2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 968.09 g/mol, XLogP of 14.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 162783419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).