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

C43H38N3OPt- — CID 168840373

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

2-[6-[3-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenol;platinum (PubChem CID 168840373) has the molecular formula C43H38N3OPt- and a molecular weight of 824.98 g/mol. Its IUPAC name is 2-[6-[3-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[6-[3-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenol;platinum
• PubChem CID: 168840373
• Molecular Formula: C43H38N3OPt-
• Molecular Weight: 824.98 g/mol
• Exact Mass: 824.37
• IUPAC Name: 2-[6-[3-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenol;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-c2ccccc2O)nc(-c2[c-]c(-c3nc4ccccc4n3-c3c(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cccc3C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])ccc2)c1-c1ccccc1.[Pt]
• InChI: InChI=1S/C43H38N3O.Pt/c1-27(2)33-20-14-21-34(28(3)4)42(33)46-38-23-11-10-22-36(38)45-43(46)32-18-13-17-31(26-32)41-40(30-15-7-6-8-16-30)29(5)25-37(44-41)35-19-9-12-24-39(35)47;/h6-25,27-28,47H,1-5H3;/q-1;/i1D3,2D3,3D3,4D3,5D3,27D,28D
• InChIKey: GEJPKQMKUMRWPV-QQKFQRGTSA-N
• XLogP: 11.15
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	824.98
LogP ≤ 5	11.15
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-[6-[3-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenol;platinum?

The IUPAC name of 2-[6-[3-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenol;platinum (CID 168840373) is 2-[6-[3-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenol;platinum.

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

The canonical SMILES for 2-[6-[3-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenol;platinum is [2H]C([2H])([2H])c1cc(-c2ccccc2O)nc(-c2[c-]c(-c3nc4ccccc4n3-c3c(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cccc3C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])ccc2)c1-c1ccccc1.[Pt].

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

The InChIKey is GEJPKQMKUMRWPV-QQKFQRGTSA-N. The full InChI is InChI=1S/C43H38N3O.Pt/c1-27(2)33-20-14-21-34(28(3)4)42(33)46-38-23-11-10-22-36(38)45-43(46)32-18-13-17-31(26-32)41-40(30-15-7-6-8-16-30)29(5)25-37(44-41)35-19-9-12-24-39(35)47;/h6-25,27-28,47H,1-5H3;/q-1;/i1D3,2D3,3D3,4D3,5D3,27D,28D;.

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

2-[6-[3-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenol;platinum has a molecular weight of 824.98 g/mol, XLogP of 11.15, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 168840373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).