2-[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole

C56H64N4O — CID 155652361

About 2-[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole

2-[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole (PubChem CID 155652361) has the molecular formula C56H64N4O and a molecular weight of 809.16 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole
• PubChem CID: 155652361
• Molecular Formula: C56H64N4O
• Molecular Weight: 809.16 g/mol
• Exact Mass: 808.51
• IUPAC Name: 2-[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole
• SMILES: CC(C)c1cccc(C(C)C)c1-c1ccnc(-n2c3ccccc3c3ccc(Oc4cc(N5C=C(C(C)(C)C)N(c6ccc(C(C)(C)C)cc6)C5)cc(C(C)(C)C)c4)cc32)c1
• InChI: InChI=1S/C56H64N4O/c1-36(2)45-18-16-19-46(37(3)4)53(45)38-27-28-57-52(29-38)60-49-20-15-14-17-47(49)48-26-25-43(33-50(48)60)61-44-31-40(55(8,9)10)30-42(32-44)58-34-51(56(11,12)13)59(35-58)41-23-21-39(22-24-41)54(5,6)7/h14-34,36-37H,35H2,1-13H3
• InChIKey: IOWIPGDLOHWATH-UHFFFAOYSA-N
• XLogP: 15.65
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.16
LogP ≤ 5	15.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole?

The IUPAC name of 2-[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole (CID 155652361) is 2-[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole.

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

The canonical SMILES for 2-[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole is CC(C)c1cccc(C(C)C)c1-c1ccnc(-n2c3ccccc3c3ccc(Oc4cc(N5C=C(C(C)(C)C)N(c6ccc(C(C)(C)C)cc6)C5)cc(C(C)(C)C)c4)cc32)c1.

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

The InChIKey is IOWIPGDLOHWATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H64N4O/c1-36(2)45-18-16-19-46(37(3)4)53(45)38-27-28-57-52(29-38)60-49-20-15-14-17-47(49)48-26-25-43(33-50(48)60)61-44-31-40(55(8,9)10)30-42(32-44)58-34-51(56(11,12)13)59(35-58)41-23-21-39(22-24-41)54(5,6)7/h14-34,36-37H,35H2,1-13H3.

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

2-[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole has a molecular weight of 809.16 g/mol, XLogP of 15.65, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole is sourced from PubChem (CID 155652361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).