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

C36H23N7O2 — CID 58692867

IUPAC2-phenyl-5-[4-[4-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-3-yl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccccc7)o6)cc5)n4-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C36H23N7O2/c1-4-10-26(11-5-1)33-39-41-35(44-33)28-20-16-24(17-21-28)31-37-38-32(43(31)30-14-8-3-9-15-30)25-18-22-29(23-19-25)36-42-40-34(45-36)27-12-6-2-7-13-27/h1-23H
InChIKeyCBMBBCZOWAIHQM-UHFFFAOYSA-N
MW585.63 g/mol
LogP8.04
Rot. Bonds7

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

2-phenyl-5-[4-[4-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-3-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 58692867) has the molecular formula C36H23N7O2 and a molecular weight of 585.63 g/mol. Its IUPAC name is 2-phenyl-5-[4-[4-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-3-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[4-[4-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-3-yl]phenyl]-1,3,4-oxadiazole
PubChem CID58692867
Molecular FormulaC36H23N7O2
Molecular Weight585.63 g/mol
Exact Mass585.19
IUPAC Name2-phenyl-5-[4-[4-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-3-yl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccccc7)o6)cc5)n4-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C36H23N7O2/c1-4-10-26(11-5-1)33-39-41-35(44-33)28-20-16-24(17-21-28)31-37-38-32(43(31)30-14-8-3-9-15-30)25-18-22-29(23-19-25)36-42-40-34(45-36)27-12-6-2-7-13-27/h1-23H
InChIKeyCBMBBCZOWAIHQM-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-[4-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-3-yl]phenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

Cambridge id 6992056
CID 2921894
2-[[4-(4-Fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 16532061
2-[[5-(2-Fluorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 16538211
2-[1-[[4,5-Bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 24470954
2-[[4-(2,4-Difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 30885534
2-[[5-(4-Fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 36013127
2-[[5-(2-Fluorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 46602151
2-[1-[[4-(4-Fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 46824333
2-[1-[[5-(4-Fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 55384215
2-[1-[[5-(2-Fluorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 60594862
2-[1-[[4-(2,4-Difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 133863558
2-(1,5-Diphenyl-1,2,4-triazol-3-yl)-5-phenyl-1,3,4-oxadiazole
CID 49793904

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-[4-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-3-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[4-[4-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-3-yl]phenyl]-1,3,4-oxadiazole (CID 58692867) is 2-phenyl-5-[4-[4-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-3-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[4-[4-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-3-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[4-[4-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-3-yl]phenyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccccc7)o6)cc5)n4-c4ccccc4)cc3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[4-[4-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-3-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is CBMBBCZOWAIHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N7O2/c1-4-10-26(11-5-1)33-39-41-35(44-33)28-20-16-24(17-21-28)31-37-38-32(43(31)30-14-8-3-9-15-30)25-18-22-29(23-19-25)36-42-40-34(45-36)27-12-6-2-7-13-27/h1-23H.
What are the key properties of 2-phenyl-5-[4-[4-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-3-yl]phenyl]-1,3,4-oxadiazole?
2-phenyl-5-[4-[4-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-3-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-[4-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-3-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 58692867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).