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

C53H58N4O — CID 158807825

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

2-[3-tert-butyl-5-[4-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 158807825) has the molecular formula C53H58N4O and a molecular weight of 767.07 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[4-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[4-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• PubChem CID: 158807825
• Molecular Formula: C53H58N4O
• Molecular Weight: 767.07 g/mol
• Exact Mass: 766.46
• IUPAC Name: 2-[3-tert-butyl-5-[4-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• SMILES: CC(C)(C)C1=CN(c2cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(C(C)(C)C)c2)CN1c1cccc(C(C)(C)c2ccccc2)c1
• InChI: InChI=1S/C53H58N4O/c1-50(2,3)37-26-27-54-49(31-37)57-46-23-16-15-22-44(46)45-25-24-42(33-47(45)57)58-43-30-39(51(4,5)6)29-41(32-43)55-34-48(52(7,8)9)56(35-55)40-21-17-20-38(28-40)53(10,11)36-18-13-12-14-19-36/h12-34H,35H2,1-11H3
• InChIKey: CNDLXQSGSKRMKD-UHFFFAOYSA-N
• XLogP: 14.06
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.07
LogP ≤ 5	14.06
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-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The IUPAC name of 2-[3-tert-butyl-5-[4-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 158807825) is 2-[3-tert-butyl-5-[4-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

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

The canonical SMILES for 2-[3-tert-butyl-5-[4-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)(C)C1=CN(c2cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(C(C)(C)C)c2)CN1c1cccc(C(C)(C)c2ccccc2)c1.

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

The InChIKey is CNDLXQSGSKRMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H58N4O/c1-50(2,3)37-26-27-54-49(31-37)57-46-23-16-15-22-44(46)45-25-24-42(33-47(45)57)58-43-30-39(51(4,5)6)29-41(32-43)55-34-48(52(7,8)9)56(35-55)40-21-17-20-38(28-40)53(10,11)36-18-13-12-14-19-36/h12-34H,35H2,1-11H3.

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

2-[3-tert-butyl-5-[4-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 767.07 g/mol, XLogP of 14.06, 7 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-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 158807825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).