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

C58H50N3OPt- — CID 162782949

About 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-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-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 162782949) 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-(9,9-dimethylindeno[2,1-c]pyridin-3-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-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 162782949
• Molecular Formula: C58H50N3OPt-
• Molecular Weight: 1000.14 g/mol
• Exact Mass: 999.36
• IUPAC Name: 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-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(-c5cc6c(cn5)C(C)(C)c5ccccc5-6)cc(C(C)(C)c5ccccc5)c4)cccc32)c(-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C58H50N3O.Pt/c1-56(2,3)41-29-30-51(46(34-41)37-19-10-8-11-20-37)61-52-27-18-25-43(54(52)60-55(61)45-24-15-17-28-53(45)62)38-31-39(33-42(32-38)57(4,5)40-21-12-9-13-22-40)50-35-47-44-23-14-16-26-48(44)58(6,7)49(47)36-59-50;/h8-30,32-36,62H,1-7H3;/q-1
• InChIKey: SVDUJZIWYAWKSS-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-(9,9-dimethylindeno[2,1-c]pyridin-3-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-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 162782949) is 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-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-(9,9-dimethylindeno[2,1-c]pyridin-3-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-(9,9-dimethylindeno[2,1-c]pyridin-3-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(-c5cc6c(cn5)C(C)(C)c5ccccc5-6)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-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

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

What are the key properties of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-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-(9,9-dimethylindeno[2,1-c]pyridin-3-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-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 162782949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).