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

C51H38N3OPt- — CID 153476875

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

2-[1-[3-(2-deuteriopropan-2-yl)-4-phenylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 153476875) has the molecular formula C51H38N3OPt- and a molecular weight of 904.97 g/mol. Its IUPAC name is 2-[1-[3-(2-deuteriopropan-2-yl)-4-phenylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[3-(2-deuteriopropan-2-yl)-4-phenylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 153476875
• Molecular Formula: C51H38N3OPt-
• Molecular Weight: 904.97 g/mol
• Exact Mass: 904.27
• IUPAC Name: 2-[1-[3-(2-deuteriopropan-2-yl)-4-phenylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]C(C)(C)c1cc(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(-c5ccccc5)c4)cccc32)ccc1-c1ccccc1.[Pt]
• InChI: InChI=1S/C51H38N3O.Pt/c1-34(2)46-33-42(25-26-43(46)37-19-10-5-11-20-37)54-48-23-14-22-44(50(48)53-51(54)45-21-12-13-24-49(45)55)40-29-39(36-17-8-4-9-18-36)30-41(31-40)47-32-38(27-28-52-47)35-15-6-3-7-16-35;/h3-30,32-34,55H,1-2H3;/q-1;/i34D
• InChIKey: WCTWRVUUNIBEMC-ZOMAHUMBSA-N
• XLogP: 13.05
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	904.97
LogP ≤ 5	13.05
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-[3-(2-deuteriopropan-2-yl)-4-phenylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-[3-(2-deuteriopropan-2-yl)-4-phenylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 153476875) is 2-[1-[3-(2-deuteriopropan-2-yl)-4-phenylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[1-[3-(2-deuteriopropan-2-yl)-4-phenylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is [2H]C(C)(C)c1cc(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(-c5ccccc5)c4)cccc32)ccc1-c1ccccc1.[Pt].

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

The InChIKey is WCTWRVUUNIBEMC-ZOMAHUMBSA-N. The full InChI is InChI=1S/C51H38N3O.Pt/c1-34(2)46-33-42(25-26-43(46)37-19-10-5-11-20-37)54-48-23-14-22-44(50(48)53-51(54)45-21-12-13-24-49(45)55)40-29-39(36-17-8-4-9-18-36)30-41(31-40)47-32-38(27-28-52-47)35-15-6-3-7-16-35;/h3-30,32-34,55H,1-2H3;/q-1;/i34D;.

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

2-[1-[3-(2-deuteriopropan-2-yl)-4-phenylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 904.97 g/mol, XLogP of 13.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[3-(2-deuteriopropan-2-yl)-4-phenylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 153476875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).