2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C56H44N4OPt-2 — CID 168784188

About 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 168784188) has the molecular formula C56H44N4OPt-2 and a molecular weight of 984.07 g/mol. Its IUPAC name is 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 168784188
• Molecular Formula: C56H44N4OPt-2
• Molecular Weight: 984.07 g/mol
• Exact Mass: 983.32
• IUPAC Name: 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6ccc(C(C)(C)C)cc6-c6ccccc6)cc5)cc(-c5ccccc5)c4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C56H44N4O.Pt/c1-38-15-14-16-39(2)55(38)42-27-28-57-54(33-42)60-52-22-13-12-21-48(52)49-25-24-46(36-53(49)60)61-47-32-43(40-17-8-6-9-18-40)31-45(35-47)58-29-30-59(37-58)51-26-23-44(56(3,4)5)34-50(51)41-19-10-7-11-20-41;/h6-34H,1-5H3;/q-2
• InChIKey: HIJUKGIPJBXFRJ-UHFFFAOYSA-N
• XLogP: 13.35
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	984.07
LogP ≤ 5	13.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 168784188) is 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6ccc(C(C)(C)C)cc6-c6ccccc6)cc5)cc(-c5ccccc5)c4)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is HIJUKGIPJBXFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N4O.Pt/c1-38-15-14-16-39(2)55(38)42-27-28-57-54(33-42)60-52-22-13-12-21-48(52)49-25-24-46(36-53(49)60)61-47-32-43(40-17-8-6-9-18-40)31-45(35-47)58-29-30-59(37-58)51-26-23-44(56(3,4)5)34-50(51)41-19-10-7-11-20-41;/h6-34H,1-5H3;/q-2;.

What are the key properties of 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 984.07 g/mol, XLogP of 13.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168784188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).