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

C66H76N3OPt- — CID 153480405

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

2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum (PubChem CID 153480405) has the molecular formula C66H76N3OPt- and a molecular weight of 1130.48 g/mol. Its IUPAC name is 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum
• PubChem CID: 153480405
• Molecular Formula: C66H76N3OPt-
• Molecular Weight: 1130.48 g/mol
• Exact Mass: 1129.61
• IUPAC Name: 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum
• SMILES: [2H]C([2H])([2H])c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C([2H])(C)C)cc(C([2H])(C)C)c4O)n5-c4ccc(-c5c(C(C)(CC)CC)cccc5C(C)(CC)CC)cc4C([2H])([2H])[2H])cc(C(C)(C)C)c3)c2)cc1.[Pt]
• InChI: InChI=1S/C66H76N3O.Pt/c1-16-65(14,17-2)55-23-21-24-56(66(15,18-3)19-4)60(55)47-30-31-58(44(10)34-47)69-59-25-20-22-52(61(59)68-63(69)54-39-48(41(5)6)38-53(42(7)8)62(54)70)49-35-50(37-51(36-49)64(11,12)13)57-40-46(32-33-67-57)45-28-26-43(9)27-29-45;/h20-34,36-42,70H,16-19H2,1-15H3;/q-1;/i9D3,10D3,41D,42D
• InChIKey: QZAVPVXSFSFSNQ-IIFLMVJLSA-N
• XLogP: 18.58
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1130.48
LogP ≤ 5	18.58
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-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum?

The IUPAC name of 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum (CID 153480405) is 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum.

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

The canonical SMILES for 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum is [2H]C([2H])([2H])c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C([2H])(C)C)cc(C([2H])(C)C)c4O)n5-c4ccc(-c5c(C(C)(CC)CC)cccc5C(C)(CC)CC)cc4C([2H])([2H])[2H])cc(C(C)(C)C)c3)c2)cc1.[Pt].

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

The InChIKey is QZAVPVXSFSFSNQ-IIFLMVJLSA-N. The full InChI is InChI=1S/C66H76N3O.Pt/c1-16-65(14,17-2)55-23-21-24-56(66(15,18-3)19-4)60(55)47-30-31-58(44(10)34-47)69-59-25-20-22-52(61(59)68-63(69)54-39-48(41(5)6)38-53(42(7)8)62(54)70)49-35-50(37-51(36-49)64(11,12)13)57-40-46(32-33-67-57)45-28-26-43(9)27-29-45;/h20-34,36-42,70H,16-19H2,1-15H3;/q-1;/i9D3,10D3,41D,42D;.

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

2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum has a molecular weight of 1130.48 g/mol, XLogP of 18.58, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum is sourced from PubChem (CID 153480405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).