4-tert-butyl-2-[2-[3-[3-(2,6-diphenylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-thieno[3,2-f][1]benzothiol-3-id-4-yl]pyridine;platinum

C48H38N3OPtS2-3 — CID 177293154

About 4-tert-butyl-2-[2-[3-[3-(2,6-diphenylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-thieno[3,2-f][1]benzothiol-3-id-4-yl]pyridine;platinum

4-tert-butyl-2-[2-[3-[3-(2,6-diphenylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-thieno[3,2-f][1]benzothiol-3-id-4-yl]pyridine;platinum (PubChem CID 177293154) has the molecular formula C48H38N3OPtS2-3 and a molecular weight of 932.06 g/mol. Its IUPAC name is 4-tert-butyl-2-[2-[3-[3-(2,6-diphenylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-thieno[3,2-f][1]benzothiol-3-id-4-yl]pyridine;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[2-[3-[3-(2,6-diphenylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-thieno[3,2-f][1]benzothiol-3-id-4-yl]pyridine;platinum
• PubChem CID: 177293154
• Molecular Formula: C48H38N3OPtS2-3
• Molecular Weight: 932.06 g/mol
• Exact Mass: 931.21
• IUPAC Name: 4-tert-butyl-2-[2-[3-[3-(2,6-diphenylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-thieno[3,2-f][1]benzothiol-3-id-4-yl]pyridine;platinum
• SMILES: CC1=C(C)N(c2c(-c3ccccc3)cccc2-c2ccccc2)[CH-]N1c1[c-]c(Oc2[c-]c3c(-c4cc(C(C)(C)C)ccn4)c4ccsc4cc3s2)ccc1.[Pt]
• InChI: InChI=1S/C48H38N3OS2.Pt/c1-31-32(2)51(47-38(33-14-8-6-9-15-33)20-13-21-39(47)34-16-10-7-11-17-34)30-50(31)36-18-12-19-37(27-36)52-45-28-41-44(54-45)29-43-40(23-25-53-43)46(41)42-26-35(22-24-49-42)48(3,4)5;/h6-26,29-30H,1-5H3;/q-3
• InChIKey: FQZFNCNSZXWDEM-UHFFFAOYSA-N
• XLogP: 13.90
• TPSA: 28.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	932.06
LogP ≤ 5	13.90
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 4-tert-butyl-2-[2-[3-[3-(2,6-diphenylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-thieno[3,2-f][1]benzothiol-3-id-4-yl]pyridine;platinum?

The IUPAC name of 4-tert-butyl-2-[2-[3-[3-(2,6-diphenylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-thieno[3,2-f][1]benzothiol-3-id-4-yl]pyridine;platinum (CID 177293154) is 4-tert-butyl-2-[2-[3-[3-(2,6-diphenylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-thieno[3,2-f][1]benzothiol-3-id-4-yl]pyridine;platinum.

What is the SMILES notation for 4-tert-butyl-2-[2-[3-[3-(2,6-diphenylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-thieno[3,2-f][1]benzothiol-3-id-4-yl]pyridine;platinum?

The canonical SMILES for 4-tert-butyl-2-[2-[3-[3-(2,6-diphenylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-thieno[3,2-f][1]benzothiol-3-id-4-yl]pyridine;platinum is CC1=C(C)N(c2c(-c3ccccc3)cccc2-c2ccccc2)[CH-]N1c1[c-]c(Oc2[c-]c3c(-c4cc(C(C)(C)C)ccn4)c4ccsc4cc3s2)ccc1.[Pt].

What is the InChIKey of 4-tert-butyl-2-[2-[3-[3-(2,6-diphenylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-thieno[3,2-f][1]benzothiol-3-id-4-yl]pyridine;platinum?

The InChIKey is FQZFNCNSZXWDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N3OS2.Pt/c1-31-32(2)51(47-38(33-14-8-6-9-15-33)20-13-21-39(47)34-16-10-7-11-17-34)30-50(31)36-18-12-19-37(27-36)52-45-28-41-44(54-45)29-43-40(23-25-53-43)46(41)42-26-35(22-24-49-42)48(3,4)5;/h6-26,29-30H,1-5H3;/q-3;.

What are the key properties of 4-tert-butyl-2-[2-[3-[3-(2,6-diphenylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-thieno[3,2-f][1]benzothiol-3-id-4-yl]pyridine;platinum?

4-tert-butyl-2-[2-[3-[3-(2,6-diphenylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-thieno[3,2-f][1]benzothiol-3-id-4-yl]pyridine;platinum has a molecular weight of 932.06 g/mol, XLogP of 13.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[2-[3-[3-(2,6-diphenylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-thieno[3,2-f][1]benzothiol-3-id-4-yl]pyridine;platinum is sourced from PubChem (CID 177293154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).