2-(4-tert-butylphenyl)-5-[9,9-diphenyl-7-(3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinolin-2-yl)fluoren-2-yl]-1,3,4-oxadiazole

C58H42N6O — CID 146581066

About 2-(4-tert-butylphenyl)-5-[9,9-diphenyl-7-(3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinolin-2-yl)fluoren-2-yl]-1,3,4-oxadiazole

2-(4-tert-butylphenyl)-5-[9,9-diphenyl-7-(3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinolin-2-yl)fluoren-2-yl]-1,3,4-oxadiazole (PubChem CID 146581066) has the molecular formula C58H42N6O and a molecular weight of 839.02 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-[9,9-diphenyl-7-(3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinolin-2-yl)fluoren-2-yl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenyl)-5-[9,9-diphenyl-7-(3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinolin-2-yl)fluoren-2-yl]-1,3,4-oxadiazole
• PubChem CID: 146581066
• Molecular Formula: C58H42N6O
• Molecular Weight: 839.02 g/mol
• Exact Mass: 838.34
• IUPAC Name: 2-(4-tert-butylphenyl)-5-[9,9-diphenyl-7-(3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinolin-2-yl)fluoren-2-yl]-1,3,4-oxadiazole
• SMILES: CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5nc6c7ccccc7nc(-c7ccccn7)c6n5-c5ccccc5)ccc3-4)o2)cc1
• InChI: InChI=1S/C58H42N6O/c1-57(2,3)40-30-26-37(27-31-40)55-62-63-56(65-55)39-29-33-45-44-32-28-38(35-47(44)58(48(45)36-39,41-17-7-4-8-18-41)42-19-9-5-10-20-42)54-61-51-46-23-13-14-24-49(46)60-52(50-25-15-16-34-59-50)53(51)64(54)43-21-11-6-12-22-43/h4-36H,1-3H3
• InChIKey: BJXCHAKSRCKZPM-UHFFFAOYSA-N
• XLogP: 13.68
• TPSA: 82.52 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.02
LogP ≤ 5	13.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-[9,9-diphenyl-7-(3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinolin-2-yl)fluoren-2-yl]-1,3,4-oxadiazole?

The IUPAC name of 2-(4-tert-butylphenyl)-5-[9,9-diphenyl-7-(3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinolin-2-yl)fluoren-2-yl]-1,3,4-oxadiazole (CID 146581066) is 2-(4-tert-butylphenyl)-5-[9,9-diphenyl-7-(3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinolin-2-yl)fluoren-2-yl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-(4-tert-butylphenyl)-5-[9,9-diphenyl-7-(3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinolin-2-yl)fluoren-2-yl]-1,3,4-oxadiazole?

The canonical SMILES for 2-(4-tert-butylphenyl)-5-[9,9-diphenyl-7-(3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinolin-2-yl)fluoren-2-yl]-1,3,4-oxadiazole is CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5nc6c7ccccc7nc(-c7ccccn7)c6n5-c5ccccc5)ccc3-4)o2)cc1.

What is the InChIKey of 2-(4-tert-butylphenyl)-5-[9,9-diphenyl-7-(3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinolin-2-yl)fluoren-2-yl]-1,3,4-oxadiazole?

The InChIKey is BJXCHAKSRCKZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N6O/c1-57(2,3)40-30-26-37(27-31-40)55-62-63-56(65-55)39-29-33-45-44-32-28-38(35-47(44)58(48(45)36-39,41-17-7-4-8-18-41)42-19-9-5-10-20-42)54-61-51-46-23-13-14-24-49(46)60-52(50-25-15-16-34-59-50)53(51)64(54)43-21-11-6-12-22-43/h4-36H,1-3H3.

What are the key properties of 2-(4-tert-butylphenyl)-5-[9,9-diphenyl-7-(3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinolin-2-yl)fluoren-2-yl]-1,3,4-oxadiazole?

2-(4-tert-butylphenyl)-5-[9,9-diphenyl-7-(3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinolin-2-yl)fluoren-2-yl]-1,3,4-oxadiazole has a molecular weight of 839.02 g/mol, XLogP of 13.68, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenyl)-5-[9,9-diphenyl-7-(3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinolin-2-yl)fluoren-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 146581066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).