2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[10-(4-phenyl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]benzimidazol-2-yl]phenol;platinum

C64H56N3O2Pt- — CID 164772033

About 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[10-(4-phenyl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[10-(4-phenyl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 164772033) has the molecular formula C64H56N3O2Pt- and a molecular weight of 1094.25 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[10-(4-phenyl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[10-(4-phenyl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 164772033
• Molecular Formula: C64H56N3O2Pt-
• Molecular Weight: 1094.25 g/mol
• Exact Mass: 1093.40
• IUPAC Name: 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[10-(4-phenyl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-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(-c5cc(-c6ccccc6)ccn5)c5oc6c7ccccc7ccc6c5c4)cccc32)c(-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C64H56N3O2.Pt/c1-62(2,3)44-28-30-55(49(36-44)40-21-14-11-15-22-40)67-56-26-18-25-46(57(56)66-61(67)52-37-45(63(4,5)6)38-53(58(52)68)64(7,8)9)43-33-50-48-29-27-41-23-16-17-24-47(41)59(48)69-60(50)51(34-43)54-35-42(31-32-65-54)39-19-12-10-13-20-39;/h10-33,35-38,68H,1-9H3;/q-1
• InChIKey: UNGPOLSHJGSKBC-UHFFFAOYSA-N
• XLogP: 17.20
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1094.25
LogP ≤ 5	17.20
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-[10-(4-phenyl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[10-(4-phenyl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]benzimidazol-2-yl]phenol;platinum (CID 164772033) is 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[10-(4-phenyl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[10-(4-phenyl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[10-(4-phenyl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-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(-c5cc(-c6ccccc6)ccn5)c5oc6c7ccccc7ccc6c5c4)cccc32)c(-c2ccccc2)c1.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[10-(4-phenyl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is UNGPOLSHJGSKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H56N3O2.Pt/c1-62(2,3)44-28-30-55(49(36-44)40-21-14-11-15-22-40)67-56-26-18-25-46(57(56)66-61(67)52-37-45(63(4,5)6)38-53(58(52)68)64(7,8)9)43-33-50-48-29-27-41-23-16-17-24-47(41)59(48)69-60(50)51(34-43)54-35-42(31-32-65-54)39-19-12-10-13-20-39;/h10-33,35-38,68H,1-9H3;/q-1;.

What are the key properties of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[10-(4-phenyl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]benzimidazol-2-yl]phenol;platinum?

2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[10-(4-phenyl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1094.25 g/mol, XLogP of 17.20, 6 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-[10-(4-phenyl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164772033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).