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

C56H45N4OPt-3 — CID 155652400

About 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-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-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 155652400) has the molecular formula C56H45N4OPt-3 and a molecular weight of 985.08 g/mol. Its IUPAC name is 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-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-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: 155652400
• Molecular Formula: C56H45N4OPt-3
• Molecular Weight: 985.08 g/mol
• Exact Mass: 984.33
• IUPAC Name: 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-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(N5C=CN(c6ccc(C(C)(C)C)cc6-c6ccccc6)[CH-]5)cc(-c5ccccc5)c4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C56H45N4O.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;/h6-34,37H,1-5H3;/q-3
• InChIKey: AEAURGPNKIICQQ-UHFFFAOYSA-N
• XLogP: 14.40
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	985.08
LogP ≤ 5	14.40
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 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-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-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 155652400) is 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-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-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-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(N5C=CN(c6ccc(C(C)(C)C)cc6-c6ccccc6)[CH-]5)cc(-c5ccccc5)c4)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-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 AEAURGPNKIICQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45N4O.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;/h6-34,37H,1-5H3;/q-3;.

What are the key properties of 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-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-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 985.08 g/mol, XLogP of 14.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-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 155652400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).