3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum

C56H47N4OPt- — CID 162784130

About 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]-9-phenylcarbazol-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]-9-phenylcarbazol-2-ol;platinum (PubChem CID 162784130) has the molecular formula C56H47N4OPt- and a molecular weight of 987.10 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]-9-phenylcarbazol-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]-9-phenylcarbazol-2-ol;platinum
• PubChem CID: 162784130
• Molecular Formula: C56H47N4OPt-
• Molecular Weight: 987.10 g/mol
• Exact Mass: 986.34
• IUPAC Name: 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum
• SMILES: CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc3c2nc(-c2cc4c5ccccc5n(-c5ccccc5)c4cc2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C56H47N4O.Pt/c1-55(2,3)39-27-28-49(44(33-39)36-18-9-7-10-19-36)60-50-26-17-23-42(37-30-38(47-24-15-16-29-57-47)32-40(31-37)56(4,5)6)53(50)58-54(60)46-34-45-43-22-13-14-25-48(43)59(51(45)35-52(46)61)41-20-11-8-12-21-41;/h7-29,31-35,61H,1-6H3;/q-1
• InChIKey: BBNVLQPVSIPBOO-UHFFFAOYSA-N
• XLogP: 14.28
• TPSA: 55.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	987.10
LogP ≤ 5	14.28
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]-9-phenylcarbazol-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]-9-phenylcarbazol-2-ol;platinum (CID 162784130) is 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]-9-phenylcarbazol-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]-9-phenylcarbazol-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]-9-phenylcarbazol-2-ol;platinum is CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc3c2nc(-c2cc4c5ccccc5n(-c5ccccc5)c4cc2O)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]-9-phenylcarbazol-2-ol;platinum?

The InChIKey is BBNVLQPVSIPBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H47N4O.Pt/c1-55(2,3)39-27-28-49(44(33-39)36-18-9-7-10-19-36)60-50-26-17-23-42(37-30-38(47-24-15-16-29-57-47)32-40(31-37)56(4,5)6)53(50)58-54(60)46-34-45-43-22-13-14-25-48(43)59(51(45)35-52(46)61)41-20-11-8-12-21-41;/h7-29,31-35,61H,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]-9-phenylcarbazol-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]-9-phenylcarbazol-2-ol;platinum has a molecular weight of 987.10 g/mol, XLogP of 14.28, 6 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]-9-phenylcarbazol-2-ol;platinum is sourced from PubChem (CID 162784130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).