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

C58H52N4O — CID 155651874

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

2-[3-[4-tert-butyl-3-(3,5-diphenylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 155651874) has the molecular formula C58H52N4O and a molecular weight of 821.08 g/mol. Its IUPAC name is 2-[3-[4-tert-butyl-3-(3,5-diphenylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-[3-[4-tert-butyl-3-(3,5-diphenylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• PubChem CID: 155651874
• Molecular Formula: C58H52N4O
• Molecular Weight: 821.08 g/mol
• Exact Mass: 820.41
• IUPAC Name: 2-[3-[4-tert-butyl-3-(3,5-diphenylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• SMILES: CC(C)(C)C1=CN(c2cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(-c3ccccc3)c2)CN1c1cc(-c2ccccc2)cc(-c2ccccc2)c1
• InChI: InChI=1S/C58H52N4O/c1-57(2,3)46-28-29-59-56(35-46)62-53-25-17-16-24-51(53)52-27-26-49(37-54(52)62)63-50-34-45(42-22-14-9-15-23-42)31-47(36-50)60-38-55(58(4,5)6)61(39-60)48-32-43(40-18-10-7-11-19-40)30-44(33-48)41-20-12-8-13-21-41/h7-38H,39H2,1-6H3
• InChIKey: XZWOCKTVZFSXKZ-UHFFFAOYSA-N
• XLogP: 15.44
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.08
LogP ≤ 5	15.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-[4-tert-butyl-3-(3,5-diphenylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 155651874) is 2-[3-[4-tert-butyl-3-(3,5-diphenylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

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

The canonical SMILES for 2-[3-[4-tert-butyl-3-(3,5-diphenylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)(C)C1=CN(c2cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(-c3ccccc3)c2)CN1c1cc(-c2ccccc2)cc(-c2ccccc2)c1.

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

The InChIKey is XZWOCKTVZFSXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H52N4O/c1-57(2,3)46-28-29-59-56(35-46)62-53-25-17-16-24-51(53)52-27-26-49(37-54(52)62)63-50-34-45(42-22-14-9-15-23-42)31-47(36-50)60-38-55(58(4,5)6)61(39-60)48-32-43(40-18-10-7-11-19-40)30-44(33-48)41-20-12-8-13-21-41/h7-38H,39H2,1-6H3.

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

2-[3-[4-tert-butyl-3-(3,5-diphenylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 821.08 g/mol, XLogP of 15.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-tert-butyl-3-(3,5-diphenylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 155651874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).