2-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum

C35H29N4OPtS-3 — CID 167345890

About 2-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum

2-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum (PubChem CID 167345890) has the molecular formula C35H29N4OPtS-3 and a molecular weight of 748.79 g/mol. Its IUPAC name is 2-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum.

Molecular Properties

• Compound Name: 2-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum
• PubChem CID: 167345890
• Molecular Formula: C35H29N4OPtS-3
• Molecular Weight: 748.79 g/mol
• Exact Mass: 748.17
• IUPAC Name: 2-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum
• SMILES: CN1C=C(c2ccccc2)N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3nccs3)cc(C(C)(C)C)c2)[CH-]1.[Pt]
• InChI: InChI=1S/C35H29N4OS.Pt/c1-35(2,3)25-18-26(38-23-37(4)22-33(38)24-10-6-5-7-11-24)20-28(19-25)40-27-14-15-30-29-12-8-9-13-31(29)39(32(30)21-27)34-36-16-17-41-34;/h5-19,22-23H,1-4H3;/q-3
• InChIKey: XJFJPFWJZXMPFJ-UHFFFAOYSA-N
• XLogP: 8.80
• TPSA: 33.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.79
LogP ≤ 5	8.80
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 2-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum?

The IUPAC name of 2-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum (CID 167345890) is 2-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum.

What is the SMILES notation for 2-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum?

The canonical SMILES for 2-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum is CN1C=C(c2ccccc2)N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3nccs3)cc(C(C)(C)C)c2)[CH-]1.[Pt].

What is the InChIKey of 2-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum?

The InChIKey is XJFJPFWJZXMPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N4OS.Pt/c1-35(2,3)25-18-26(38-23-37(4)22-33(38)24-10-6-5-7-11-24)20-28(19-25)40-27-14-15-30-29-12-8-9-13-31(29)39(32(30)21-27)34-36-16-17-41-34;/h5-19,22-23H,1-4H3;/q-3;.

What are the key properties of 2-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum?

2-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum has a molecular weight of 748.79 g/mol, XLogP of 8.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum is sourced from PubChem (CID 167345890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).