3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9,9-dimethylfluoren-2-ol;platinum

C64H54N3OPt- — CID 162783888

About 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9,9-dimethylfluoren-2-ol;platinum

3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9,9-dimethylfluoren-2-ol;platinum (PubChem CID 162783888) has the molecular formula C64H54N3OPt- and a molecular weight of 1076.23 g/mol. Its IUPAC name is 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9,9-dimethylfluoren-2-ol;platinum.

Molecular Properties

• Compound Name: 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9,9-dimethylfluoren-2-ol;platinum
• PubChem CID: 162783888
• Molecular Formula: C64H54N3OPt-
• Molecular Weight: 1076.23 g/mol
• Exact Mass: 1075.39
• IUPAC Name: 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9,9-dimethylfluoren-2-ol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccc(C(C)(C)c4ccccc4)cc3)ccn2)[c-]c(-c2cccc3c2nc(-c2cc4c(cc2O)C(C)(C)c2ccccc2-4)n3-c2ccccc2-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C64H54N3O.Pt/c1-62(2,3)48-36-44(35-45(37-48)56-38-43(33-34-65-56)41-29-31-47(32-30-41)63(4,5)46-21-12-9-13-22-46)50-25-18-28-58-60(50)66-61(67(58)57-27-17-15-23-49(57)42-19-10-8-11-20-42)53-39-52-51-24-14-16-26-54(51)64(6,7)55(52)40-59(53)68;/h8-34,36-40,68H,1-7H3;/q-1
• InChIKey: FKBSVAAPOSVEBY-UHFFFAOYSA-N
• XLogP: 16.19
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1076.23
LogP ≤ 5	16.19
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 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9,9-dimethylfluoren-2-ol;platinum?

The IUPAC name of 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9,9-dimethylfluoren-2-ol;platinum (CID 162783888) is 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9,9-dimethylfluoren-2-ol;platinum.

What is the SMILES notation for 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9,9-dimethylfluoren-2-ol;platinum?

The canonical SMILES for 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9,9-dimethylfluoren-2-ol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccc(C(C)(C)c4ccccc4)cc3)ccn2)[c-]c(-c2cccc3c2nc(-c2cc4c(cc2O)C(C)(C)c2ccccc2-4)n3-c2ccccc2-c2ccccc2)c1.[Pt].

What is the InChIKey of 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9,9-dimethylfluoren-2-ol;platinum?

The InChIKey is FKBSVAAPOSVEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H54N3O.Pt/c1-62(2,3)48-36-44(35-45(37-48)56-38-43(33-34-65-56)41-29-31-47(32-30-41)63(4,5)46-21-12-9-13-22-46)50-25-18-28-58-60(50)66-61(67(58)57-27-17-15-23-49(57)42-19-10-8-11-20-42)53-39-52-51-24-14-16-26-54(51)64(6,7)55(52)40-59(53)68;/h8-34,36-40,68H,1-7H3;/q-1;.

What are the key properties of 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9,9-dimethylfluoren-2-ol;platinum?

3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9,9-dimethylfluoren-2-ol;platinum has a molecular weight of 1076.23 g/mol, XLogP of 16.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9,9-dimethylfluoren-2-ol;platinum is sourced from PubChem (CID 162783888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).