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

C58H50N3OPt- — CID 162783064

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

2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 162783064) has the molecular formula C58H50N3OPt- and a molecular weight of 1000.14 g/mol. Its IUPAC name is 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 162783064
• Molecular Formula: C58H50N3OPt-
• Molecular Weight: 1000.14 g/mol
• Exact Mass: 999.36
• IUPAC Name: 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1ccc(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5nccc6c5-c5ccccc5C6(C)C)cc(C(C)(C)c5ccccc5)c4)cccc32)c(-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C58H50N3O.Pt/c1-56(2,3)41-29-30-49(46(36-41)37-19-10-8-11-20-37)61-50-27-18-25-43(54(50)60-55(61)45-24-15-17-28-51(45)62)38-33-39(35-42(34-38)57(4,5)40-21-12-9-13-22-40)53-52-44-23-14-16-26-47(44)58(6,7)48(52)31-32-59-53;/h8-32,34-36,62H,1-7H3;/q-1
• InChIKey: IRWXZPASXFBSPL-UHFFFAOYSA-N
• XLogP: 14.52
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1000.14
LogP ≤ 5	14.52
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-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 162783064) is 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1ccc(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5nccc6c5-c5ccccc5C6(C)C)cc(C(C)(C)c5ccccc5)c4)cccc32)c(-c2ccccc2)c1.[Pt].

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

The InChIKey is IRWXZPASXFBSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H50N3O.Pt/c1-56(2,3)41-29-30-49(46(36-41)37-19-10-8-11-20-37)61-50-27-18-25-43(54(50)60-55(61)45-24-15-17-28-51(45)62)38-33-39(35-42(34-38)57(4,5)40-21-12-9-13-22-40)53-52-44-23-14-16-26-47(44)58(6,7)48(52)31-32-59-53;/h8-32,34-36,62H,1-7H3;/q-1;.

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

2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1000.14 g/mol, XLogP of 14.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 162783064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).