2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

C61H58N4O — CID 161380882

About 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 161380882) has the molecular formula C61H58N4O and a molecular weight of 863.16 g/mol. Its IUPAC name is 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• PubChem CID: 161380882
• Molecular Formula: C61H58N4O
• Molecular Weight: 863.16 g/mol
• Exact Mass: 862.46
• IUPAC Name: 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• SMILES: CC(C)(C)C1=CN(c2cc(-c3ccccc3)cc(C(C)(C)c3ccccc3)c2)CN1c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(-c2ccccc2)c1
• InChI: InChI=1S/C61H58N4O/c1-59(2,3)47-30-31-62-58(37-47)65-55-27-19-18-26-53(55)54-29-28-51(39-56(54)65)66-52-35-45(43-22-14-10-15-23-43)34-50(38-52)64-41-63(40-57(64)60(4,5)6)49-33-44(42-20-12-9-13-21-42)32-48(36-49)61(7,8)46-24-16-11-17-25-46/h9-40H,41H2,1-8H3
• InChIKey: IGGCATYGBAMZSZ-UHFFFAOYSA-N
• XLogP: 16.10
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	863.16
LogP ≤ 5	16.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The IUPAC name of 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 161380882) is 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

What is the SMILES notation for 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The canonical SMILES for 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)(C)C1=CN(c2cc(-c3ccccc3)cc(C(C)(C)c3ccccc3)c2)CN1c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(-c2ccccc2)c1.

What is the InChIKey of 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The InChIKey is IGGCATYGBAMZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H58N4O/c1-59(2,3)47-30-31-62-58(37-47)65-55-27-19-18-26-53(55)54-29-28-51(39-56(54)65)66-52-35-45(43-22-14-10-15-23-43)34-50(38-52)64-41-63(40-57(64)60(4,5)6)49-33-44(42-20-12-9-13-21-42)32-48(36-49)61(7,8)46-24-16-11-17-25-46/h9-40H,41H2,1-8H3.

What are the key properties of 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 863.16 g/mol, XLogP of 16.10, 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-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 161380882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).