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

C58H68N4O — CID 155651858

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

2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 155651858) has the molecular formula C58H68N4O and a molecular weight of 837.21 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)carbazole
• PubChem CID: 155651858
• Molecular Formula: C58H68N4O
• Molecular Weight: 837.21 g/mol
• Exact Mass: 836.54
• IUPAC Name: 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)carbazole
• SMILES: CC(C)(C)c1ccc(-c2ccc3c(c2)c2ccc(Oc4cc(N5C=CN(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)C5)cc(C(C)(C)C)c4)cc2n3-c2cc(C(C)(C)C)ccn2)cc1
• InChI: InChI=1S/C58H68N4O/c1-54(2,3)40-19-16-38(17-20-40)39-18-23-51-50(28-39)49-22-21-47(36-52(49)62(51)53-34-41(24-25-59-53)55(4,5)6)63-48-33-44(58(13,14)15)32-46(35-48)61-27-26-60(37-61)45-30-42(56(7,8)9)29-43(31-45)57(10,11)12/h16-36H,37H2,1-15H3
• InChIKey: FILJCDXEBIKMKF-UHFFFAOYSA-N
• XLogP: 15.88
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.21
LogP ≤ 5	15.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 155651858) is 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)carbazole.

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

The canonical SMILES for 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)(C)c1ccc(-c2ccc3c(c2)c2ccc(Oc4cc(N5C=CN(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)C5)cc(C(C)(C)C)c4)cc2n3-c2cc(C(C)(C)C)ccn2)cc1.

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

The InChIKey is FILJCDXEBIKMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H68N4O/c1-54(2,3)40-19-16-38(17-20-40)39-18-23-51-50(28-39)49-22-21-47(36-52(49)62(51)53-34-41(24-25-59-53)55(4,5)6)63-48-33-44(58(13,14)15)32-46(35-48)61-27-26-60(37-61)45-30-42(56(7,8)9)29-43(31-45)57(10,11)12/h16-36H,37H2,1-15H3.

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

2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 837.21 g/mol, XLogP of 15.88, 6 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-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 155651858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).