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

C58H60N4O — CID 155651788

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

2-[3-[5-tert-butyl-3-[4-[2,6-di(propan-2-yl)phenyl]-2-phenylphenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 155651788) has the molecular formula C58H60N4O and a molecular weight of 829.15 g/mol. Its IUPAC name is 2-[3-[5-tert-butyl-3-[4-[2,6-di(propan-2-yl)phenyl]-2-phenylphenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-[3-[5-tert-butyl-3-[4-[2,6-di(propan-2-yl)phenyl]-2-phenylphenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• PubChem CID: 155651788
• Molecular Formula: C58H60N4O
• Molecular Weight: 829.15 g/mol
• Exact Mass: 828.48
• IUPAC Name: 2-[3-[5-tert-butyl-3-[4-[2,6-di(propan-2-yl)phenyl]-2-phenylphenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• SMILES: CC(C)c1cccc(C(C)C)c1-c1ccc(N2C=C(C(C)(C)C)N(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)C2)c(-c2ccccc2)c1
• InChI: InChI=1S/C58H60N4O/c1-38(2)46-23-17-24-47(39(3)4)56(46)41-26-29-51(50(32-41)40-18-12-11-13-19-40)60-36-54(58(8,9)10)61(37-60)43-20-16-21-44(34-43)63-45-27-28-49-48-22-14-15-25-52(48)62(53(49)35-45)55-33-42(30-31-59-55)57(5,6)7/h11-36,38-39H,37H2,1-10H3
• InChIKey: OLNHJBWFSIMWRJ-UHFFFAOYSA-N
• XLogP: 16.02
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.15
LogP ≤ 5	16.02
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-[4-[2,6-di(propan-2-yl)phenyl]-2-phenylphenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The IUPAC name of 2-[3-[5-tert-butyl-3-[4-[2,6-di(propan-2-yl)phenyl]-2-phenylphenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 155651788) is 2-[3-[5-tert-butyl-3-[4-[2,6-di(propan-2-yl)phenyl]-2-phenylphenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

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

The canonical SMILES for 2-[3-[5-tert-butyl-3-[4-[2,6-di(propan-2-yl)phenyl]-2-phenylphenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)c1cccc(C(C)C)c1-c1ccc(N2C=C(C(C)(C)C)N(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)C2)c(-c2ccccc2)c1.

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

The InChIKey is OLNHJBWFSIMWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H60N4O/c1-38(2)46-23-17-24-47(39(3)4)56(46)41-26-29-51(50(32-41)40-18-12-11-13-19-40)60-36-54(58(8,9)10)61(37-60)43-20-16-21-44(34-43)63-45-27-28-49-48-22-14-15-25-52(48)62(53(49)35-45)55-33-42(30-31-59-55)57(5,6)7/h11-36,38-39H,37H2,1-10H3.

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

2-[3-[5-tert-butyl-3-[4-[2,6-di(propan-2-yl)phenyl]-2-phenylphenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 829.15 g/mol, XLogP of 16.02, 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-[4-[2,6-di(propan-2-yl)phenyl]-2-phenylphenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 155651788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).