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

C59H62N4O — CID 160572929

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

6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-4-phenyl-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 160572929) has the molecular formula C59H62N4O and a molecular weight of 843.17 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-4-phenyl-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-4-phenyl-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• PubChem CID: 160572929
• Molecular Formula: C59H62N4O
• Molecular Weight: 843.17 g/mol
• Exact Mass: 842.49
• IUPAC Name: 6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-4-phenyl-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• SMILES: CC(C)(C)c1cccc(N2CN(c3cc(Oc4ccc5c6cc(C(C)(C)C)ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)(C)c4ccccc4)c3)C=C2c2ccccc2)c1
• InChI: InChI=1S/C59H62N4O/c1-56(2,3)42-23-18-24-46(31-42)62-39-61(38-54(62)40-19-14-12-15-20-40)47-32-45(59(10,11)41-21-16-13-17-22-41)33-49(36-47)64-48-26-27-50-51-34-43(57(4,5)6)25-28-52(51)63(53(50)37-48)55-35-44(29-30-60-55)58(7,8)9/h12-38H,39H2,1-11H3
• InChIKey: HWVNTFGSBZQWIT-UHFFFAOYSA-N
• XLogP: 15.47
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.17
LogP ≤ 5	15.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-4-phenyl-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 160572929) is 6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-4-phenyl-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

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

The canonical SMILES for 6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-4-phenyl-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)(C)c1cccc(N2CN(c3cc(Oc4ccc5c6cc(C(C)(C)C)ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)(C)c4ccccc4)c3)C=C2c2ccccc2)c1.

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

The InChIKey is HWVNTFGSBZQWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H62N4O/c1-56(2,3)42-23-18-24-46(31-42)62-39-61(38-54(62)40-19-14-12-15-20-40)47-32-45(59(10,11)41-21-16-13-17-22-41)33-49(36-47)64-48-26-27-50-51-34-43(57(4,5)6)25-28-52(51)63(53(50)37-48)55-35-44(29-30-60-55)58(7,8)9/h12-38H,39H2,1-11H3.

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

6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-4-phenyl-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 843.17 g/mol, XLogP of 15.47, 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-[3-(3-tert-butylphenyl)-4-phenyl-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 160572929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).