2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]spiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-2-yl]-1,3,4-oxadiazole

C49H44N4O2 — CID 146343122

IUPAC2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]spiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-2-yl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2nnc(C3=CC4C(C=C3)C3C=CC=CC3C43c4ccccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1
InChIInChI=1S/C49H44N4O2/c1-47(2,3)33-21-15-29(16-22-33)43-50-52-45(54-43)31-19-25-37-35-11-7-9-13-39(35)49(41(37)27-31)40-14-10-8-12-36(40)38-26-20-32(28-42(38)49)46-53-51-44(55-46)30-17-23-34(24-18-30)48(4,5)6/h7-28,35,37,39,41H,1-6H3
InChIKeyAOZIGMXXHFTQPL-UHFFFAOYSA-N
MW720.92 g/mol
LogP11.57
Rot. Bonds4

About 2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]spiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-2-yl]-1,3,4-oxadiazole

2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]spiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-2-yl]-1,3,4-oxadiazole (PubChem CID 146343122) has the molecular formula C49H44N4O2 and a molecular weight of 720.92 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]spiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]spiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-2-yl]-1,3,4-oxadiazole
PubChem CID146343122
Molecular FormulaC49H44N4O2
Molecular Weight720.92 g/mol
Exact Mass720.35
IUPAC Name2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]spiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-2-yl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2nnc(C3=CC4C(C=C3)C3C=CC=CC3C43c4ccccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1
InChIInChI=1S/C49H44N4O2/c1-47(2,3)33-21-15-29(16-22-33)43-50-52-45(54-43)31-19-25-37-35-11-7-9-13-39(35)49(41(37)27-31)40-14-10-8-12-36(40)38-26-20-32(28-42(38)49)46-53-51-44(55-46)30-17-23-34(24-18-30)48(4,5)6/h7-28,35,37,39,41H,1-6H3
InChIKeyAOZIGMXXHFTQPL-UHFFFAOYSA-N
XLogP11.57
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.92
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]spiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-2-yl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Bis(2-(4-tert-butylphenyl)-1,3,4-oxadiazo-5-yl)benzene
CID 15320492
[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CID 76311100
2-(1,1'-Biphenyl)-4-yl-5-(1-naphthyl)-1,3,4-oxadiazole
CID 102048
2-[(Adamantan-1-YL)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 45106139
2,2'-(E)-ethene-1,2-diylbis[5-(2,5-dimethylphenyl)-1,3,4-oxadiazole]
CID 640283
2-(4'-t-Butylphenyl)-5-(4''-biphenylyl)-1,3,4-oxadiazole
CID 22169027
1,3,5-Tris(4-t-butylphenyl-1,3,4-oxadiazolyl)benzene
CID 22173670
2-Tert-butyl-5-[3-[3-[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole
CID 58426341
2,2'-Bis(5-phenyl-1,3,4-oxadiazol-2-yl)biphenyl
CID 85702496
2,5-Bis[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,4-oxadiazole
CID 86066216
2-Phenyl-5-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440185
2,5-Bis[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,4-oxadiazole
CID 101503094

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]spiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]spiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-2-yl]-1,3,4-oxadiazole (CID 146343122) is 2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]spiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]spiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]spiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-2-yl]-1,3,4-oxadiazole is CC(C)(C)c1ccc(-c2nnc(C3=CC4C(C=C3)C3C=CC=CC3C43c4ccccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]spiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-2-yl]-1,3,4-oxadiazole?
The InChIKey is AOZIGMXXHFTQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H44N4O2/c1-47(2,3)33-21-15-29(16-22-33)43-50-52-45(54-43)31-19-25-37-35-11-7-9-13-39(35)49(41(37)27-31)40-14-10-8-12-36(40)38-26-20-32(28-42(38)49)46-53-51-44(55-46)30-17-23-34(24-18-30)48(4,5)6/h7-28,35,37,39,41H,1-6H3.
What are the key properties of 2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]spiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-2-yl]-1,3,4-oxadiazole?
2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]spiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-2-yl]-1,3,4-oxadiazole has a molecular weight of 720.92 g/mol, XLogP of 11.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]spiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 146343122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).