4-tert-butyl-2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxypyridine;platinum

C46H47N3OPt-2 — CID 155614509

About 4-tert-butyl-2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxypyridine;platinum

4-tert-butyl-2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxypyridine;platinum (PubChem CID 155614509) has the molecular formula C46H47N3OPt-2 and a molecular weight of 852.98 g/mol. Its IUPAC name is 4-tert-butyl-2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxypyridine;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxypyridine;platinum
• PubChem CID: 155614509
• Molecular Formula: C46H47N3OPt-2
• Molecular Weight: 852.98 g/mol
• Exact Mass: 852.34
• IUPAC Name: 4-tert-butyl-2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxypyridine;platinum
• SMILES: C[n+]1[c-]n(-c2[c-]c(Oc3cc(C(C)(C)C)cc(C4(c5[c-]cccc5)c5cc(C(C)(C)C)ccc5-c5ccc(C(C)(C)C)cc54)n3)ccc2)cc1.[Pt]
• InChI: InChI=1S/C46H47N3O.Pt/c1-43(2,3)32-19-21-37-38-22-20-33(44(4,5)6)26-40(38)46(39(37)25-32,31-15-12-11-13-16-31)41-27-34(45(7,8)9)28-42(47-41)50-36-18-14-17-35(29-36)49-24-23-48(10)30-49;/h11-15,17-28H,1-10H3;/q-2
• InChIKey: IQOCNGCUTQPJLP-UHFFFAOYSA-N
• XLogP: 10.14
• TPSA: 30.93 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.98
LogP ≤ 5	10.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxypyridine;platinum?

The IUPAC name of 4-tert-butyl-2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxypyridine;platinum (CID 155614509) is 4-tert-butyl-2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxypyridine;platinum.

What is the SMILES notation for 4-tert-butyl-2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxypyridine;platinum?

The canonical SMILES for 4-tert-butyl-2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxypyridine;platinum is C[n+]1[c-]n(-c2[c-]c(Oc3cc(C(C)(C)C)cc(C4(c5[c-]cccc5)c5cc(C(C)(C)C)ccc5-c5ccc(C(C)(C)C)cc54)n3)ccc2)cc1.[Pt].

What is the InChIKey of 4-tert-butyl-2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxypyridine;platinum?

The InChIKey is IQOCNGCUTQPJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H47N3O.Pt/c1-43(2,3)32-19-21-37-38-22-20-33(44(4,5)6)26-40(38)46(39(37)25-32,31-15-12-11-13-16-31)41-27-34(45(7,8)9)28-42(47-41)50-36-18-14-17-35(29-36)49-24-23-48(10)30-49;/h11-15,17-28H,1-10H3;/q-2;.

What are the key properties of 4-tert-butyl-2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxypyridine;platinum?

4-tert-butyl-2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxypyridine;platinum has a molecular weight of 852.98 g/mol, XLogP of 10.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxypyridine;platinum is sourced from PubChem (CID 155614509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).