2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole

C66H74N4O — CID 159292821

About 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole

2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole (PubChem CID 159292821) has the molecular formula C66H74N4O and a molecular weight of 939.35 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
• PubChem CID: 159292821
• Molecular Formula: C66H74N4O
• Molecular Weight: 939.35 g/mol
• Exact Mass: 938.59
• IUPAC Name: 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
• SMILES: CC(C)(C)c1cc(Oc2ccc3c4cc(C(C)(C)c5ccccc5)ccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(-n2[c-][n+](-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2C(C)(C)c2ccccc2)c1
• InChI: InChI=1S/C66H74N4O/c1-61(2,3)46-31-32-67-60(39-46)70-57-30-27-47(65(13,14)44-23-19-17-20-24-44)38-56(57)55-29-28-53(41-58(55)70)71-54-37-50(64(10,11)12)36-52(40-54)69-43-68(42-59(69)66(15,16)45-25-21-18-22-26-45)51-34-48(62(4,5)6)33-49(35-51)63(7,8)9/h17-42H,1-16H3
• InChIKey: WDFATOUJPDTYBU-UHFFFAOYSA-N
• XLogP: 16.68
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	939.35
LogP ≤ 5	16.68
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-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole?

The IUPAC name of 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole (CID 159292821) is 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole.

What is the SMILES notation for 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole?

The canonical SMILES for 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole is CC(C)(C)c1cc(Oc2ccc3c4cc(C(C)(C)c5ccccc5)ccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(-n2[c-][n+](-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2C(C)(C)c2ccccc2)c1.

What is the InChIKey of 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole?

The InChIKey is WDFATOUJPDTYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H74N4O/c1-61(2,3)46-31-32-67-60(39-46)70-57-30-27-47(65(13,14)44-23-19-17-20-24-44)38-56(57)55-29-28-53(41-58(55)70)71-54-37-50(64(10,11)12)36-52(40-54)69-43-68(42-59(69)66(15,16)45-25-21-18-22-26-45)51-34-48(62(4,5)6)33-49(35-51)63(7,8)9/h17-42H,1-16H3.

What are the key properties of 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole?

2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole has a molecular weight of 939.35 g/mol, XLogP of 16.68, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole is sourced from PubChem (CID 159292821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).