3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]dibenzofuran-2-ol;platinum

C50H42N3O2Pt- — CID 162783597

About 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]dibenzofuran-2-ol;platinum

3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]dibenzofuran-2-ol;platinum (PubChem CID 162783597) has the molecular formula C50H42N3O2Pt- and a molecular weight of 911.98 g/mol. Its IUPAC name is 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]dibenzofuran-2-ol;platinum.

Molecular Properties

• Compound Name: 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]dibenzofuran-2-ol;platinum
• PubChem CID: 162783597
• Molecular Formula: C50H42N3O2Pt-
• Molecular Weight: 911.98 g/mol
• Exact Mass: 911.29
• IUPAC Name: 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]dibenzofuran-2-ol;platinum
• SMILES: CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc3c2nc(-c2cc4oc5ccccc5c4cc2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C50H42N3O2.Pt/c1-49(2,3)34-22-23-42(38(28-34)31-15-8-7-9-16-31)53-43-20-14-18-36(32-25-33(41-19-12-13-24-51-41)27-35(26-32)50(4,5)6)47(43)52-48(53)40-30-46-39(29-44(40)54)37-17-10-11-21-45(37)55-46;/h7-24,26-30,54H,1-6H3;/q-1
• InChIKey: OYTGSDFUUOTUNP-UHFFFAOYSA-N
• XLogP: 13.09
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.98
LogP ≤ 5	13.09
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 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]dibenzofuran-2-ol;platinum?

The IUPAC name of 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]dibenzofuran-2-ol;platinum (CID 162783597) is 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]dibenzofuran-2-ol;platinum.

What is the SMILES notation for 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]dibenzofuran-2-ol;platinum?

The canonical SMILES for 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]dibenzofuran-2-ol;platinum is CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc3c2nc(-c2cc4oc5ccccc5c4cc2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt].

What is the InChIKey of 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]dibenzofuran-2-ol;platinum?

The InChIKey is OYTGSDFUUOTUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42N3O2.Pt/c1-49(2,3)34-22-23-42(38(28-34)31-15-8-7-9-16-31)53-43-20-14-18-36(32-25-33(41-19-12-13-24-51-41)27-35(26-32)50(4,5)6)47(43)52-48(53)40-30-46-39(29-44(40)54)37-17-10-11-21-45(37)55-46;/h7-24,26-30,54H,1-6H3;/q-1;.

What are the key properties of 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]dibenzofuran-2-ol;platinum?

3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]dibenzofuran-2-ol;platinum has a molecular weight of 911.98 g/mol, XLogP of 13.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]dibenzofuran-2-ol;platinum is sourced from PubChem (CID 162783597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).