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

C54H52N3OPt- — CID 153480773

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

2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum (PubChem CID 153480773) has the molecular formula C54H52N3OPt- and a molecular weight of 958.13 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 153480773
• Molecular Formula: C54H52N3OPt-
• Molecular Weight: 958.13 g/mol
• Exact Mass: 957.40
• IUPAC Name: 2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]C([2H])([2H])c1ccc(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C([2H])(C)C)cc6)ccn5)cc(C(C)(C)C)c4)cccc32)c(-c2ccc(C(C)(C)C)cc2)c1.[Pt]
• InChI: InChI=1S/C54H52N3O.Pt/c1-34(2)36-18-20-37(21-19-36)39-27-28-55-47(33-39)41-30-40(31-43(32-41)54(7,8)9)44-14-12-15-49-51(44)56-52(45-13-10-11-16-50(45)58)57(49)48-26-17-35(3)29-46(48)38-22-24-42(25-23-38)53(4,5)6;/h10-29,31-34,58H,1-9H3;/q-1;/i3D3,34D
• InChIKey: BWBPBIGKNBPHSL-RTLXSVSZSA-N
• XLogP: 14.29
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	958.13
LogP ≤ 5	14.29
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-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum (CID 153480773) is 2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum is [2H]C([2H])([2H])c1ccc(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C([2H])(C)C)cc6)ccn5)cc(C(C)(C)C)c4)cccc32)c(-c2ccc(C(C)(C)C)cc2)c1.[Pt].

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

The InChIKey is BWBPBIGKNBPHSL-RTLXSVSZSA-N. The full InChI is InChI=1S/C54H52N3O.Pt/c1-34(2)36-18-20-37(21-19-36)39-27-28-55-47(33-39)41-30-40(31-43(32-41)54(7,8)9)44-14-12-15-49-51(44)56-52(45-13-10-11-16-50(45)58)57(49)48-26-17-35(3)29-46(48)38-22-24-42(25-23-38)53(4,5)6;/h10-29,31-34,58H,1-9H3;/q-1;/i3D3,34D;.

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

2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 958.13 g/mol, XLogP of 14.29, 8 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-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 153480773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).