2,4-ditert-butyl-6-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum

C62H58N3OPt- — CID 162783445

About 2,4-ditert-butyl-6-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum (PubChem CID 162783445) has the molecular formula C62H58N3OPt- and a molecular weight of 1056.24 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
• PubChem CID: 162783445
• Molecular Formula: C62H58N3OPt-
• Molecular Weight: 1056.24 g/mol
• Exact Mass: 1055.42
• IUPAC Name: 2,4-ditert-butyl-6-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc6c(cn5)C(C)(C)c5ccccc5-6)cc(C(C)(C)c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C62H58N3O.Pt/c1-59(2,3)43-35-49(57(66)51(36-43)60(4,5)6)58-64-56-46(28-21-31-55(56)65(58)54-30-20-18-26-45(54)39-22-13-11-14-23-39)40-32-41(34-44(33-40)61(7,8)42-24-15-12-16-25-42)53-37-48-47-27-17-19-29-50(47)62(9,10)52(48)38-63-53;/h11-31,33-38,66H,1-10H3;/q-1
• InChIKey: NBKBTWFHSYQVLE-UHFFFAOYSA-N
• XLogP: 15.82
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1056.24
LogP ≤ 5	15.82
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-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum (CID 162783445) is 2,4-ditert-butyl-6-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc6c(cn5)C(C)(C)c5ccccc5-6)cc(C(C)(C)c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

The InChIKey is NBKBTWFHSYQVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H58N3O.Pt/c1-59(2,3)43-35-49(57(66)51(36-43)60(4,5)6)58-64-56-46(28-21-31-55(56)65(58)54-30-20-18-26-45(54)39-22-13-11-14-23-39)40-32-41(34-44(33-40)61(7,8)42-24-15-12-16-25-42)53-37-48-47-27-17-19-29-50(47)62(9,10)52(48)38-63-53;/h11-31,33-38,66H,1-10H3;/q-1;.

What are the key properties of 2,4-ditert-butyl-6-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

2,4-ditert-butyl-6-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 1056.24 g/mol, XLogP of 15.82, 7 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-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 162783445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).