2-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-[4-[4-[5-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole

C40H30N4O3 — CID 155471707

IUPAC2-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-[4-[4-[5-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole
SMILESC1=CC(c2ccc(-c3nnc(-c4ccc(Oc5ccc(-c6nnc(-c7ccc(C8=CCCC=C8)cc7)o6)cc5)cc4)o3)cc2)=CCC1
InChIInChI=1S/C40H30N4O3/c1-3-7-27(8-4-1)29-11-15-31(16-12-29)37-41-43-39(46-37)33-19-23-35(24-20-33)45-36-25-21-34(22-26-36)40-44-42-38(47-40)32-17-13-30(14-18-32)28-9-5-2-6-10-28/h3,5,7-26H,1-2,4,6H2
InChIKeyRQNAWLGSOIVSED-UHFFFAOYSA-N
MW614.71 g/mol
LogP10.38
Rot. Bonds8

About 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-[4-[4-[5-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole

2-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-[4-[4-[5-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole (PubChem CID 155471707) has the molecular formula C40H30N4O3 and a molecular weight of 614.71 g/mol. Its IUPAC name is 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-[4-[4-[5-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-[4-[4-[5-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole
PubChem CID155471707
Molecular FormulaC40H30N4O3
Molecular Weight614.71 g/mol
Exact Mass614.23
IUPAC Name2-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-[4-[4-[5-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole
SMILESC1=CC(c2ccc(-c3nnc(-c4ccc(Oc5ccc(-c6nnc(-c7ccc(C8=CCCC=C8)cc7)o6)cc5)cc4)o3)cc2)=CCC1
InChIInChI=1S/C40H30N4O3/c1-3-7-27(8-4-1)29-11-15-31(16-12-29)37-41-43-39(46-37)33-19-23-35(24-20-33)45-36-25-21-34(22-26-36)40-44-42-38(47-40)32-17-13-30(14-18-32)28-9-5-2-6-10-28/h3,5,7-26H,1-2,4,6H2
InChIKeyRQNAWLGSOIVSED-UHFFFAOYSA-N
XLogP10.38
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.71
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-[4-[4-[5-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-[4-[4-[5-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-[4-[4-[5-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole (CID 155471707) is 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-[4-[4-[5-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-[4-[4-[5-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-[4-[4-[5-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole is C1=CC(c2ccc(-c3nnc(-c4ccc(Oc5ccc(-c6nnc(-c7ccc(C8=CCCC=C8)cc7)o6)cc5)cc4)o3)cc2)=CCC1.
What is the InChIKey of 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-[4-[4-[5-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole?
The InChIKey is RQNAWLGSOIVSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4O3/c1-3-7-27(8-4-1)29-11-15-31(16-12-29)37-41-43-39(46-37)33-19-23-35(24-20-33)45-36-25-21-34(22-26-36)40-44-42-38(47-40)32-17-13-30(14-18-32)28-9-5-2-6-10-28/h3,5,7-26H,1-2,4,6H2.
What are the key properties of 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-[4-[4-[5-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole?
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-[4-[4-[5-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole has a molecular weight of 614.71 g/mol, XLogP of 10.38, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-[4-[4-[5-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 155471707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).