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

C59H70N4O — CID 159559368

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

4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-dimethyl-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole (PubChem CID 159559368) has the molecular formula C59H70N4O and a molecular weight of 851.24 g/mol. Its IUPAC name is 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-dimethyl-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole.

Molecular Properties

• Compound Name: 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-dimethyl-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
• PubChem CID: 159559368
• Molecular Formula: C59H70N4O
• Molecular Weight: 851.24 g/mol
• Exact Mass: 850.55
• IUPAC Name: 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-dimethyl-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
• SMILES: CC1=C(C)N(c2cc(Oc3cc(C(C)(C)C)c4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(C(C)(C)c3ccccc3)c2)CN1c1cc(C(C)(C)C)cc(C(C)(C)C)c1
• InChI: InChI=1S/C59H70N4O/c1-38-39(2)62(37-61(38)45-29-42(56(6,7)8)28-43(30-45)57(9,10)11)46-31-44(59(15,16)40-22-18-17-19-23-40)32-47(34-46)64-48-35-50(58(12,13)14)54-49-24-20-21-25-51(49)63(52(54)36-48)53-33-41(26-27-60-53)55(3,4)5/h17-36H,37H2,1-16H3
• InChIKey: QDNSQHGDJUDIRB-UHFFFAOYSA-N
• XLogP: 16.02
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.24
LogP ≤ 5	16.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-dimethyl-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole (CID 159559368) is 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-dimethyl-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole.

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

The canonical SMILES for 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-dimethyl-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole is CC1=C(C)N(c2cc(Oc3cc(C(C)(C)C)c4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(C(C)(C)c3ccccc3)c2)CN1c1cc(C(C)(C)C)cc(C(C)(C)C)c1.

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

The InChIKey is QDNSQHGDJUDIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H70N4O/c1-38-39(2)62(37-61(38)45-29-42(56(6,7)8)28-43(30-45)57(9,10)11)46-31-44(59(15,16)40-22-18-17-19-23-40)32-47(34-46)64-48-35-50(58(12,13)14)54-49-24-20-21-25-51(49)63(52(54)36-48)53-33-41(26-27-60-53)55(3,4)5/h17-36H,37H2,1-16H3.

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

4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-dimethyl-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole has a molecular weight of 851.24 g/mol, XLogP of 16.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-dimethyl-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole is sourced from PubChem (CID 159559368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).