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

C62H60N4O — CID 155652385

About 6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-diphenylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-diphenylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 155652385) has the molecular formula C62H60N4O and a molecular weight of 877.19 g/mol. Its IUPAC name is 6-tert-butyl-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: 6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-diphenylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• PubChem CID: 155652385
• Molecular Formula: C62H60N4O
• Molecular Weight: 877.19 g/mol
• Exact Mass: 876.48
• IUPAC Name: 6-tert-butyl-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(Oc3ccc4c5cc(C(C)(C)C)ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(-c3ccccc3)c2)CN1c1cc(-c2ccccc2)cc(-c2ccccc2)c1
• InChI: InChI=1S/C62H60N4O/c1-60(2,3)48-25-28-56-55(36-48)54-27-26-52(39-57(54)66(56)59-37-49(29-30-63-59)61(4,5)6)67-53-35-47(44-23-17-12-18-24-44)32-50(38-53)64-40-58(62(7,8)9)65(41-64)51-33-45(42-19-13-10-14-20-42)31-46(34-51)43-21-15-11-16-22-43/h10-40H,41H2,1-9H3
• InChIKey: KVFNILGCOAYHSS-UHFFFAOYSA-N
• XLogP: 16.74
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	877.19
LogP ≤ 5	16.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-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 6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-diphenylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 155652385) is 6-tert-butyl-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 6-tert-butyl-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 6-tert-butyl-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(Oc3ccc4c5cc(C(C)(C)C)ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(-c3ccccc3)c2)CN1c1cc(-c2ccccc2)cc(-c2ccccc2)c1.

What is the InChIKey of 6-tert-butyl-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 KVFNILGCOAYHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H60N4O/c1-60(2,3)48-25-28-56-55(36-48)54-27-26-52(39-57(54)66(56)59-37-49(29-30-63-59)61(4,5)6)67-53-35-47(44-23-17-12-18-24-44)32-50(38-53)64-40-58(62(7,8)9)65(41-64)51-33-45(42-19-13-10-14-20-42)31-46(34-51)43-21-15-11-16-22-43/h10-40H,41H2,1-9H3.

What are the key properties of 6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-diphenylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

6-tert-butyl-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 877.19 g/mol, XLogP of 16.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-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 155652385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).