2-phenyl-5-[4-[3-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-4-yl]phenyl]-1,3,4-oxadiazole

C36H23N7O2 — CID 58692859

IUPAC2-phenyl-5-[4-[3-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-4-yl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccccc5)n4-c4ccc(-c5nnc(-c6ccccc6)o5)cc4)cc3)o2)cc1
InChIInChI=1S/C36H23N7O2/c1-4-10-24(11-5-1)31-37-38-32(25-16-18-28(19-17-25)35-41-39-33(44-35)26-12-6-2-7-13-26)43(31)30-22-20-29(21-23-30)36-42-40-34(45-36)27-14-8-3-9-15-27/h1-23H
InChIKeyMJFLLRNPKCIRFW-UHFFFAOYSA-N
MW585.63 g/mol
LogP8.04
Rot. Bonds7

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

2-phenyl-5-[4-[3-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-4-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 58692859) has the molecular formula C36H23N7O2 and a molecular weight of 585.63 g/mol. Its IUPAC name is 2-phenyl-5-[4-[3-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-4-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[4-[3-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-4-yl]phenyl]-1,3,4-oxadiazole
PubChem CID58692859
Molecular FormulaC36H23N7O2
Molecular Weight585.63 g/mol
Exact Mass585.19
IUPAC Name2-phenyl-5-[4-[3-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-4-yl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccccc5)n4-c4ccc(-c5nnc(-c6ccccc6)o5)cc4)cc3)o2)cc1
InChIInChI=1S/C36H23N7O2/c1-4-10-24(11-5-1)31-37-38-32(25-16-18-28(19-17-25)35-41-39-33(44-35)26-12-6-2-7-13-26)43(31)30-22-20-29(21-23-30)36-42-40-34(45-36)27-14-8-3-9-15-27/h1-23H
InChIKeyMJFLLRNPKCIRFW-UHFFFAOYSA-N
XLogP8.04
TPSA108.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.63
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-[3-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-4-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[4-[3-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-4-yl]phenyl]-1,3,4-oxadiazole (CID 58692859) is 2-phenyl-5-[4-[3-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-4-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[4-[3-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-4-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[4-[3-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-4-yl]phenyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccccc5)n4-c4ccc(-c5nnc(-c6ccccc6)o5)cc4)cc3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[4-[3-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-4-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is MJFLLRNPKCIRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N7O2/c1-4-10-24(11-5-1)31-37-38-32(25-16-18-28(19-17-25)35-41-39-33(44-35)26-12-6-2-7-13-26)43(31)30-22-20-29(21-23-30)36-42-40-34(45-36)27-14-8-3-9-15-27/h1-23H.
What are the key properties of 2-phenyl-5-[4-[3-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-4-yl]phenyl]-1,3,4-oxadiazole?
2-phenyl-5-[4-[3-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-4-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 585.63 g/mol, XLogP of 8.04, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-[3-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-4-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 58692859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).