2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9,9-dimethyl-2-pyridin-2-yl-3H-fluoren-3-id-4-yl)benzimidazol-2-yl]phenol;platinum

C57H56N3OPt- — CID 162783647

About 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9,9-dimethyl-2-pyridin-2-yl-3H-fluoren-3-id-4-yl)benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9,9-dimethyl-2-pyridin-2-yl-3H-fluoren-3-id-4-yl)benzimidazol-2-yl]phenol;platinum (PubChem CID 162783647) has the molecular formula C57H56N3OPt- and a molecular weight of 994.17 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9,9-dimethyl-2-pyridin-2-yl-3H-fluoren-3-id-4-yl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9,9-dimethyl-2-pyridin-2-yl-3H-fluoren-3-id-4-yl)benzimidazol-2-yl]phenol;platinum
• PubChem CID: 162783647
• Molecular Formula: C57H56N3OPt-
• Molecular Weight: 994.17 g/mol
• Exact Mass: 993.41
• IUPAC Name: 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9,9-dimethyl-2-pyridin-2-yl-3H-fluoren-3-id-4-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(-c5ccccn5)cc5c4-c4ccccc4C5(C)C)cccc32)c(-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C57H56N3O.Pt/c1-54(2,3)37-27-28-48(41(32-37)35-20-13-12-14-21-35)60-49-26-19-23-39(51(49)59-53(60)43-33-38(55(4,5)6)34-46(52(43)61)56(7,8)9)42-30-36(47-25-17-18-29-58-47)31-45-50(42)40-22-15-16-24-44(40)57(45,10)11;/h12-29,31-34,61H,1-11H3;/q-1
• InChIKey: RNEBQRQDMKWUSJ-UHFFFAOYSA-N
• XLogP: 14.79
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	994.17
LogP ≤ 5	14.79
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 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9,9-dimethyl-2-pyridin-2-yl-3H-fluoren-3-id-4-yl)benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9,9-dimethyl-2-pyridin-2-yl-3H-fluoren-3-id-4-yl)benzimidazol-2-yl]phenol;platinum (CID 162783647) is 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9,9-dimethyl-2-pyridin-2-yl-3H-fluoren-3-id-4-yl)benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9,9-dimethyl-2-pyridin-2-yl-3H-fluoren-3-id-4-yl)benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9,9-dimethyl-2-pyridin-2-yl-3H-fluoren-3-id-4-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(-c5ccccn5)cc5c4-c4ccccc4C5(C)C)cccc32)c(-c2ccccc2)c1.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9,9-dimethyl-2-pyridin-2-yl-3H-fluoren-3-id-4-yl)benzimidazol-2-yl]phenol;platinum?

The InChIKey is RNEBQRQDMKWUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H56N3O.Pt/c1-54(2,3)37-27-28-48(41(32-37)35-20-13-12-14-21-35)60-49-26-19-23-39(51(49)59-53(60)43-33-38(55(4,5)6)34-46(52(43)61)56(7,8)9)42-30-36(47-25-17-18-29-58-47)31-45-50(42)40-22-15-16-24-44(40)57(45,10)11;/h12-29,31-34,61H,1-11H3;/q-1;.

What are the key properties of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9,9-dimethyl-2-pyridin-2-yl-3H-fluoren-3-id-4-yl)benzimidazol-2-yl]phenol;platinum?

2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9,9-dimethyl-2-pyridin-2-yl-3H-fluoren-3-id-4-yl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 994.17 g/mol, XLogP of 14.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9,9-dimethyl-2-pyridin-2-yl-3H-fluoren-3-id-4-yl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 162783647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).