5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole

C58H36N6O2 — CID 141437647

IUPAC5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole
SMILESc1cc(-c2noc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc(-c2noc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)c1
InChIInChI=1S/C58H36N6O2/c1-5-28-51-47(24-1)48-25-2-6-29-52(48)63(51)45-22-12-16-39(35-45)37-14-9-20-43(32-37)57-59-55(61-65-57)41-18-11-19-42(34-41)56-60-58(66-62-56)44-21-10-15-38(33-44)40-17-13-23-46(36-40)64-53-30-7-3-26-49(53)50-27-4-8-31-54(50)64/h1-36H
InChIKeyJAKHPYQELGNLFZ-UHFFFAOYSA-N
MW848.97 g/mol
LogP14.65
Rot. Bonds8

About 5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole

5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole (PubChem CID 141437647) has the molecular formula C58H36N6O2 and a molecular weight of 848.97 g/mol. Its IUPAC name is 5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole
PubChem CID141437647
Molecular FormulaC58H36N6O2
Molecular Weight848.97 g/mol
Exact Mass848.29
IUPAC Name5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole
SMILESc1cc(-c2noc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc(-c2noc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)c1
InChIInChI=1S/C58H36N6O2/c1-5-28-51-47(24-1)48-25-2-6-29-52(48)63(51)45-22-12-16-39(35-45)37-14-9-20-43(32-37)57-59-55(61-65-57)41-18-11-19-42(34-41)56-60-58(66-62-56)44-21-10-15-38(33-44)40-17-13-23-46(36-40)64-53-30-7-3-26-49(53)50-27-4-8-31-54(50)64/h1-36H
InChIKeyJAKHPYQELGNLFZ-UHFFFAOYSA-N
XLogP14.65
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.97
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

9-[3-[4-(3-carbazol-9-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901354
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 59499440
9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 153208818
9-[3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901387
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
5-(4-carbazol-9-ylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
CID 59499399
9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 177124510
N,N-diphenyl-9-[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]carbazol-3-amine
CID 130354199
9-[3-[4-(3-bromophenyl)-6-(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 141480105
3-carbazol-9-yl-9-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146828085
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158317836
2-phenyl-9-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170539117

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole (CID 141437647) is 5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole is c1cc(-c2noc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc(-c2noc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)c1.
What is the InChIKey of 5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole?
The InChIKey is JAKHPYQELGNLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N6O2/c1-5-28-51-47(24-1)48-25-2-6-29-52(48)63(51)45-22-12-16-39(35-45)37-14-9-20-43(32-37)57-59-55(61-65-57)41-18-11-19-42(34-41)56-60-58(66-62-56)44-21-10-15-38(33-44)40-17-13-23-46(36-40)64-53-30-7-3-26-49(53)50-27-4-8-31-54(50)64/h1-36H.
What are the key properties of 5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole?
5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole has a molecular weight of 848.97 g/mol, XLogP of 14.65, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 141437647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).