1-[3-[[4-(4-tert-butyl-2-pyridinyl)-3H-thieno[3,2-g][1]benzothiol-3-id-2-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum

C33H26N3OPtS2-3 — CID 177293077

About 1-[3-[[4-(4-tert-butyl-2-pyridinyl)-3H-thieno[3,2-g][1]benzothiol-3-id-2-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum

1-[3-[[4-(4-tert-butyl-2-pyridinyl)-3H-thieno[3,2-g][1]benzothiol-3-id-2-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum (PubChem CID 177293077) has the molecular formula C33H26N3OPtS2-3 and a molecular weight of 742.82 g/mol. Its IUPAC name is 1-[3-[[4-(4-tert-butyl-2-pyridinyl)-3H-thieno[3,2-g][1]benzothiol-3-id-2-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum.

Molecular Properties

• Compound Name: 1-[3-[[4-(4-tert-butyl-2-pyridinyl)-3H-thieno[3,2-g][1]benzothiol-3-id-2-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum
• PubChem CID: 177293077
• Molecular Formula: C33H26N3OPtS2-3
• Molecular Weight: 742.82 g/mol
• Exact Mass: 742.14
• IUPAC Name: 1-[3-[[4-(4-tert-butyl-2-pyridinyl)-3H-thieno[3,2-g][1]benzothiol-3-id-2-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum
• SMILES: [2H]C([2H])([2H])N1[CH-]N(c2[c-]c(Oc3[c-]c4c(-c5cc(C(C)(C)C)ccn5)cc5ccsc5c4s3)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C33H26N3OS2.Pt/c1-33(2,3)22-12-14-34-27(17-22)25-16-21-13-15-38-31(21)32-26(25)19-30(39-32)37-24-9-7-8-23(18-24)36-20-35(4)28-10-5-6-11-29(28)36;/h5-17,20H,1-4H3;/q-3;/i4D3
• InChIKey: SNOMCFATUNVHEG-NXIGQQGZSA-N
• XLogP: 9.57
• TPSA: 28.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.82
LogP ≤ 5	9.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(4-tert-butyl-2-pyridinyl)-3H-thieno[3,2-g][1]benzothiol-3-id-2-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum?

The IUPAC name of 1-[3-[[4-(4-tert-butyl-2-pyridinyl)-3H-thieno[3,2-g][1]benzothiol-3-id-2-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum (CID 177293077) is 1-[3-[[4-(4-tert-butyl-2-pyridinyl)-3H-thieno[3,2-g][1]benzothiol-3-id-2-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum.

What is the SMILES notation for 1-[3-[[4-(4-tert-butyl-2-pyridinyl)-3H-thieno[3,2-g][1]benzothiol-3-id-2-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum?

The canonical SMILES for 1-[3-[[4-(4-tert-butyl-2-pyridinyl)-3H-thieno[3,2-g][1]benzothiol-3-id-2-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum is [2H]C([2H])([2H])N1[CH-]N(c2[c-]c(Oc3[c-]c4c(-c5cc(C(C)(C)C)ccn5)cc5ccsc5c4s3)ccc2)c2ccccc21.[Pt].

What is the InChIKey of 1-[3-[[4-(4-tert-butyl-2-pyridinyl)-3H-thieno[3,2-g][1]benzothiol-3-id-2-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum?

The InChIKey is SNOMCFATUNVHEG-NXIGQQGZSA-N. The full InChI is InChI=1S/C33H26N3OS2.Pt/c1-33(2,3)22-12-14-34-27(17-22)25-16-21-13-15-38-31(21)32-26(25)19-30(39-32)37-24-9-7-8-23(18-24)36-20-35(4)28-10-5-6-11-29(28)36;/h5-17,20H,1-4H3;/q-3;/i4D3;.

What are the key properties of 1-[3-[[4-(4-tert-butyl-2-pyridinyl)-3H-thieno[3,2-g][1]benzothiol-3-id-2-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum?

1-[3-[[4-(4-tert-butyl-2-pyridinyl)-3H-thieno[3,2-g][1]benzothiol-3-id-2-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum has a molecular weight of 742.82 g/mol, XLogP of 9.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[4-(4-tert-butyl-2-pyridinyl)-3H-thieno[3,2-g][1]benzothiol-3-id-2-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum is sourced from PubChem (CID 177293077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).