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

C57H66N4O — CID 161137639

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

6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole (PubChem CID 161137639) has the molecular formula C57H66N4O and a molecular weight of 823.18 g/mol. Its IUPAC name is 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole.

Molecular Properties

• Compound Name: 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
• PubChem CID: 161137639
• Molecular Formula: C57H66N4O
• Molecular Weight: 823.18 g/mol
• Exact Mass: 822.52
• IUPAC Name: 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
• SMILES: CC(C)(C)c1cc(N2C=CN(c3cc(Oc4ccc5c6cc(C(C)(C)C)ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)(C)c4ccccc4)c3)C2)cc(C(C)(C)C)c1
• InChI: InChI=1S/C57H66N4O/c1-53(2,3)39-20-23-50-49(33-39)48-22-21-46(36-51(48)61(50)52-34-40(24-25-58-52)54(4,5)6)62-47-32-43(57(13,14)38-18-16-15-17-19-38)31-45(35-47)60-27-26-59(37-60)44-29-41(55(7,8)9)28-42(30-44)56(10,11)12/h15-36H,37H2,1-14H3
• InChIKey: XSEPYCVIGDTEKY-UHFFFAOYSA-N
• XLogP: 15.24
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	823.18
LogP ≤ 5	15.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole (CID 161137639) is 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole.

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

The canonical SMILES for 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole is CC(C)(C)c1cc(N2C=CN(c3cc(Oc4ccc5c6cc(C(C)(C)C)ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)(C)c4ccccc4)c3)C2)cc(C(C)(C)C)c1.

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

The InChIKey is XSEPYCVIGDTEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H66N4O/c1-53(2,3)39-20-23-50-49(33-39)48-22-21-46(36-51(48)61(50)52-34-40(24-25-58-52)54(4,5)6)62-47-32-43(57(13,14)38-18-16-15-17-19-38)31-45(35-47)60-27-26-59(37-60)44-29-41(55(7,8)9)28-42(30-44)56(10,11)12/h15-36H,37H2,1-14H3.

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

6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole has a molecular weight of 823.18 g/mol, XLogP of 15.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole is sourced from PubChem (CID 161137639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).