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-1-benzothiophen-3-id-4-yl]pyridine;platinum

C46H38N3OPtS-3 — CID 177293180

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-1-benzothiophen-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-1-benzothiophen-3-id-4-yl]pyridine;platinum (PubChem CID 177293180) has the molecular formula C46H38N3OPtS-3 and a molecular weight of 875.98 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-1-benzothiophen-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-1-benzothiophen-3-id-4-yl]pyridine;platinum
• PubChem CID: 177293180
• Molecular Formula: C46H38N3OPtS-3
• Molecular Weight: 875.98 g/mol
• Exact Mass: 875.24
• 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-1-benzothiophen-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)cccc3s2)ccc1.[Pt]
• InChI: InChI=1S/C46H38N3OS.Pt/c1-31-32(2)49(45-38(33-15-8-6-9-16-33)21-13-22-39(45)34-17-10-7-11-18-34)30-48(31)36-19-12-20-37(28-36)50-44-29-41-40(23-14-24-43(41)51-44)42-27-35(25-26-47-42)46(3,4)5;/h6-27,30H,1-5H3;/q-3
• InChIKey: MSEAFACVUUEMFK-UHFFFAOYSA-N
• XLogP: 12.68
• TPSA: 28.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	875.98
LogP ≤ 5	12.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-1-benzothiophen-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-1-benzothiophen-3-id-4-yl]pyridine;platinum (CID 177293180) 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-1-benzothiophen-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-1-benzothiophen-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-1-benzothiophen-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)cccc3s2)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-1-benzothiophen-3-id-4-yl]pyridine;platinum?

The InChIKey is MSEAFACVUUEMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N3OS.Pt/c1-31-32(2)49(45-38(33-15-8-6-9-16-33)21-13-22-39(45)34-17-10-7-11-18-34)30-48(31)36-19-12-20-37(28-36)50-44-29-41-40(23-14-24-43(41)51-44)42-27-35(25-26-47-42)46(3,4)5;/h6-27,30H,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-1-benzothiophen-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-1-benzothiophen-3-id-4-yl]pyridine;platinum has a molecular weight of 875.98 g/mol, XLogP of 12.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 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-1-benzothiophen-3-id-4-yl]pyridine;platinum is sourced from PubChem (CID 177293180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).