2-[4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum

C49H42N3OPt- — CID 164701384

About 2-[4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum

2-[4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum (PubChem CID 164701384) has the molecular formula C49H42N3OPt- and a molecular weight of 890.01 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 164701384
• Molecular Formula: C49H42N3OPt-
• Molecular Weight: 890.01 g/mol
• Exact Mass: 889.34
• IUPAC Name: 2-[4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccc(C([2H])(C)C)cc4-c4ccccc4)cc(C(C)(C)C)c3)c2)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C49H42N3O.Pt/c1-32(2)35-23-24-44(42(30-35)34-17-10-7-11-18-34)52-45-21-14-20-40(47(45)51-48(52)41-19-12-13-22-46(41)53)37-27-38(29-39(28-37)49(3,4)5)43-31-36(25-26-50-43)33-15-8-6-9-16-33;/h6-26,28-32,53H,1-5H3;/q-1;/i6D,8D,9D,15D,16D,32D
• InChIKey: WHXUKURDSUFRRX-XVPYIOFRSA-N
• XLogP: 12.68
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	890.01
LogP ≤ 5	12.68
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-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum (CID 164701384) is 2-[4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum is [2H]c1c([2H])c([2H])c(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccc(C([2H])(C)C)cc4-c4ccccc4)cc(C(C)(C)C)c3)c2)c([2H])c1[2H].[Pt].

What is the InChIKey of 2-[4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is WHXUKURDSUFRRX-XVPYIOFRSA-N. The full InChI is InChI=1S/C49H42N3O.Pt/c1-32(2)35-23-24-44(42(30-35)34-17-10-7-11-18-34)52-45-21-14-20-40(47(45)51-48(52)41-19-12-13-22-46(41)53)37-27-38(29-39(28-37)49(3,4)5)43-31-36(25-26-50-43)33-15-8-6-9-16-33;/h6-26,28-32,53H,1-5H3;/q-1;/i6D,8D,9D,15D,16D,32D;.

What are the key properties of 2-[4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum?

2-[4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 890.01 g/mol, XLogP of 12.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164701384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).