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

C61H58N4O — CID 160729998

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

2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-phenyl-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole (PubChem CID 160729998) has the molecular formula C61H58N4O and a molecular weight of 863.16 g/mol. Its IUPAC name is 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-phenyl-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole.

Molecular Properties

• Compound Name: 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-phenyl-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
• PubChem CID: 160729998
• Molecular Formula: C61H58N4O
• Molecular Weight: 863.16 g/mol
• Exact Mass: 862.46
• IUPAC Name: 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-phenyl-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
• SMILES: CC(C)(C)c1cc(-c2ccccc2)cc(N2CN(c3cccc(Oc4ccc5c6cc(C(C)(C)c7ccccc7)ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)C=C2c2ccccc2)c1
• InChI: InChI=1S/C61H58N4O/c1-59(2,3)46-31-32-62-58(37-46)65-55-30-27-47(61(7,8)45-23-16-11-17-24-45)36-54(55)53-29-28-52(39-56(53)65)66-51-26-18-25-49(38-51)63-40-57(43-21-14-10-15-22-43)64(41-63)50-34-44(42-19-12-9-13-20-42)33-48(35-50)60(4,5)6/h9-40H,41H2,1-8H3
• InChIKey: VLXGWSBGTLLNQP-UHFFFAOYSA-N
• XLogP: 15.84
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	863.16
LogP ≤ 5	15.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-phenyl-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole (CID 160729998) is 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-phenyl-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole.

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

The canonical SMILES for 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-phenyl-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole is CC(C)(C)c1cc(-c2ccccc2)cc(N2CN(c3cccc(Oc4ccc5c6cc(C(C)(C)c7ccccc7)ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)C=C2c2ccccc2)c1.

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

The InChIKey is VLXGWSBGTLLNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H58N4O/c1-59(2,3)46-31-32-62-58(37-46)65-55-30-27-47(61(7,8)45-23-16-11-17-24-45)36-54(55)53-29-28-52(39-56(53)65)66-51-26-18-25-49(38-51)63-40-57(43-21-14-10-15-22-43)64(41-63)50-34-44(42-19-12-9-13-20-42)33-48(35-50)60(4,5)6/h9-40H,41H2,1-8H3.

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

2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-phenyl-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole has a molecular weight of 863.16 g/mol, XLogP of 15.84, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-phenyl-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole is sourced from PubChem (CID 160729998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).