9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum

C59H59N4OPt-3 — CID 162448651

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum (PubChem CID 162448651) has the molecular formula C59H59N4OPt-3 and a molecular weight of 1037.24 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum
• PubChem CID: 162448651
• Molecular Formula: C59H59N4OPt-3
• Molecular Weight: 1037.24 g/mol
• Exact Mass: 1036.45
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum
• SMILES: [2H]C1=C([2H])N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[CH-]N1c1[c-]c(Oc2[c-]c3c(cc2)c2cc(-c4ccccc4)ccc2n3-c2cc(C(C)(C)C)ccn2)cc(C(C)(C)c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C59H59N4O.Pt/c1-56(2,3)43-26-27-60-55(36-43)63-53-25-22-41(40-18-14-12-15-19-40)30-52(53)51-24-23-49(38-54(51)63)64-50-35-46(59(10,11)42-20-16-13-17-21-42)34-48(37-50)62-29-28-61(39-62)47-32-44(57(4,5)6)31-45(33-47)58(7,8)9;/h12-36,39H,1-11H3;/q-3;/i28D,29D
• InChIKey: UJCOWAMMHZVKAX-CYYFHIGNSA-N
• XLogP: 15.37
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1037.24
LogP ≤ 5	15.37
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 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum (CID 162448651) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum is [2H]C1=C([2H])N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[CH-]N1c1[c-]c(Oc2[c-]c3c(cc2)c2cc(-c4ccccc4)ccc2n3-c2cc(C(C)(C)C)ccn2)cc(C(C)(C)c2ccccc2)c1.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum?

The InChIKey is UJCOWAMMHZVKAX-CYYFHIGNSA-N. The full InChI is InChI=1S/C59H59N4O.Pt/c1-56(2,3)43-26-27-60-55(36-43)63-53-25-22-41(40-18-14-12-15-19-40)30-52(53)51-24-23-49(38-54(51)63)64-50-35-46(59(10,11)42-20-16-13-17-21-42)34-48(37-50)62-29-28-61(39-62)47-32-44(57(4,5)6)31-45(33-47)58(7,8)9;/h12-36,39H,1-11H3;/q-3;/i28D,29D;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum has a molecular weight of 1037.24 g/mol, XLogP of 15.37, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162448651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).