2-phenyl-5-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,4-oxadiazole

C44H30N2O — CID 101440185

IUPAC2-phenyl-5-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C44H30N2O/c1-6-16-31(17-7-1)38-30-39(32-26-28-37(29-27-32)44-46-45-43(47-44)36-24-14-5-15-25-36)41(34-20-10-3-11-21-34)42(35-22-12-4-13-23-35)40(38)33-18-8-2-9-19-33/h1-30H
InChIKeyHTKICILIUNYLPY-UHFFFAOYSA-N
MW602.74 g/mol
LogP11.74
Rot. Bonds7

About 2-phenyl-5-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,4-oxadiazole

2-phenyl-5-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,4-oxadiazole (PubChem CID 101440185) has the molecular formula C44H30N2O and a molecular weight of 602.74 g/mol. Its IUPAC name is 2-phenyl-5-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,4-oxadiazole
PubChem CID101440185
Molecular FormulaC44H30N2O
Molecular Weight602.74 g/mol
Exact Mass602.24
IUPAC Name2-phenyl-5-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C44H30N2O/c1-6-16-31(17-7-1)38-30-39(32-26-28-37(29-27-32)44-46-45-43(47-44)36-24-14-5-15-25-36)41(34-20-10-3-11-21-34)42(35-22-12-4-13-23-35)40(38)33-18-8-2-9-19-33/h1-30H
InChIKeyHTKICILIUNYLPY-UHFFFAOYSA-N
XLogP11.74
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.74
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,4-oxadiazole (CID 101440185) is 2-phenyl-5-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)cc3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is HTKICILIUNYLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2O/c1-6-16-31(17-7-1)38-30-39(32-26-28-37(29-27-32)44-46-45-43(47-44)36-24-14-5-15-25-36)41(34-20-10-3-11-21-34)42(35-22-12-4-13-23-35)40(38)33-18-8-2-9-19-33/h1-30H.
What are the key properties of 2-phenyl-5-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,4-oxadiazole?
2-phenyl-5-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 602.74 g/mol, XLogP of 11.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 101440185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).