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

C55H59N4OPt-3 — CID 155652163

About 2-[3-[5-tert-butyl-3-[3-(2,2-dimethylpropyl)-5-(2-methylpropyl)phenyl]-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[3-[5-tert-butyl-3-[3-(2,2-dimethylpropyl)-5-(2-methylpropyl)phenyl]-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 155652163) has the molecular formula C55H59N4OPt-3 and a molecular weight of 987.18 g/mol. Its IUPAC name is 2-[3-[5-tert-butyl-3-[3-(2,2-dimethylpropyl)-5-(2-methylpropyl)phenyl]-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[5-tert-butyl-3-[3-(2,2-dimethylpropyl)-5-(2-methylpropyl)phenyl]-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 155652163
• Molecular Formula: C55H59N4OPt-3
• Molecular Weight: 987.18 g/mol
• Exact Mass: 986.44
• IUPAC Name: 2-[3-[5-tert-butyl-3-[3-(2,2-dimethylpropyl)-5-(2-methylpropyl)phenyl]-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)Cc1cc(CC(C)(C)C)cc(N2C=C(C(C)(C)C)N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(-c4ccccc4)c3)[CH-]2)c1.[Pt]
• InChI: InChI=1S/C55H59N4O.Pt/c1-37(2)25-38-26-39(34-53(3,4)5)28-43(27-38)57-35-51(55(9,10)11)58(36-57)44-29-41(40-17-13-12-14-18-40)30-46(32-44)60-45-21-22-48-47-19-15-16-20-49(47)59(50(48)33-45)52-31-42(23-24-56-52)54(6,7)8;/h12-24,26-31,35-37H,25,34H2,1-11H3;/q-3
• InChIKey: RANMMWAQYMTSFE-UHFFFAOYSA-N
• XLogP: 14.65
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	987.18
LogP ≤ 5	14.65
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-[5-tert-butyl-3-[3-(2,2-dimethylpropyl)-5-(2-methylpropyl)phenyl]-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[5-tert-butyl-3-[3-(2,2-dimethylpropyl)-5-(2-methylpropyl)phenyl]-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 155652163) is 2-[3-[5-tert-butyl-3-[3-(2,2-dimethylpropyl)-5-(2-methylpropyl)phenyl]-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[5-tert-butyl-3-[3-(2,2-dimethylpropyl)-5-(2-methylpropyl)phenyl]-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)Cc1cc(CC(C)(C)C)cc(N2C=C(C(C)(C)C)N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(-c4ccccc4)c3)[CH-]2)c1.[Pt].

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

The InChIKey is RANMMWAQYMTSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H59N4O.Pt/c1-37(2)25-38-26-39(34-53(3,4)5)28-43(27-38)57-35-51(55(9,10)11)58(36-57)44-29-41(40-17-13-12-14-18-40)30-46(32-44)60-45-21-22-48-47-19-15-16-20-49(47)59(50(48)33-45)52-31-42(23-24-56-52)54(6,7)8;/h12-24,26-31,35-37H,25,34H2,1-11H3;/q-3;.

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

2-[3-[5-tert-butyl-3-[3-(2,2-dimethylpropyl)-5-(2-methylpropyl)phenyl]-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 987.18 g/mol, XLogP of 14.65, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-tert-butyl-3-[3-(2,2-dimethylpropyl)-5-(2-methylpropyl)phenyl]-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 155652163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).