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

C54H60N4O — CID 155652409

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole (PubChem CID 155652409) has the molecular formula C54H60N4O and a molecular weight of 781.10 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole
• PubChem CID: 155652409
• Molecular Formula: C54H60N4O
• Molecular Weight: 781.10 g/mol
• Exact Mass: 780.48
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole
• SMILES: CC(C)(C)C1=C(C(C)(C)C)N(c2cc(-c3ccccc3)cc(C(C)(C)C)c2)CN1c1cccc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)c1
• InChI: InChI=1S/C54H60N4O/c1-51(2,3)38-27-28-55-48(32-38)58-46-24-17-16-23-44(46)45-26-25-43(34-47(45)58)59-42-22-18-21-40(33-42)56-35-57(50(54(10,11)12)49(56)53(7,8)9)41-30-37(36-19-14-13-15-20-36)29-39(31-41)52(4,5)6/h13-34H,35H2,1-12H3
• InChIKey: GSPGCHMWTQNGTQ-UHFFFAOYSA-N
• XLogP: 14.82
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.10
LogP ≤ 5	14.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole (CID 155652409) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole is CC(C)(C)C1=C(C(C)(C)C)N(c2cc(-c3ccccc3)cc(C(C)(C)C)c2)CN1c1cccc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)c1.

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

The InChIKey is GSPGCHMWTQNGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H60N4O/c1-51(2,3)38-27-28-55-48(32-38)58-46-24-17-16-23-44(46)45-26-25-43(34-47(45)58)59-42-22-18-21-40(33-42)56-35-57(50(54(10,11)12)49(56)53(7,8)9)41-30-37(36-19-14-13-15-20-36)29-39(31-41)52(4,5)6/h13-34H,35H2,1-12H3.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole has a molecular weight of 781.10 g/mol, XLogP of 14.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 155652409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).