4,5-bis(2,2-diphenylethylidene)oxadiazole

C30H24N2O — CID 175290942

IUPAC4,5-bis(2,2-diphenylethylidene)oxadiazole
SMILESC(=c1nnoc1=CC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24N2O/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-29-30(33-32-31-29)22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22,27-28H
InChIKeyDZYJQXPDNXBKEN-UHFFFAOYSA-N
MW428.54 g/mol
LogP5.29
Rot. Bonds6

About 4,5-bis(2,2-diphenylethylidene)oxadiazole

4,5-bis(2,2-diphenylethylidene)oxadiazole (PubChem CID 175290942) has the molecular formula C30H24N2O and a molecular weight of 428.54 g/mol. Its IUPAC name is 4,5-bis(2,2-diphenylethylidene)oxadiazole.

Molecular Properties

Compound Name4,5-bis(2,2-diphenylethylidene)oxadiazole
PubChem CID175290942
Molecular FormulaC30H24N2O
Molecular Weight428.54 g/mol
Exact Mass428.19
IUPAC Name4,5-bis(2,2-diphenylethylidene)oxadiazole
SMILESC(=c1nnoc1=CC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24N2O/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-29-30(33-32-31-29)22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22,27-28H
InChIKeyDZYJQXPDNXBKEN-UHFFFAOYSA-N
XLogP5.29
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-diphenylethylidene)oxadiazole
CID 174510452
benzhydrylalumane
CID 146889225
dichlororuthenium;1-phenylprop-2-enylbenzene
CID 175974276
(4-chloro-1-phenylbut-2-enyl)benzene
CID 57017373
chloro-dimethyl-(1-phenylprop-2-enyl)silane
CID 21185613
barium(2+);bis(1,3-diphenylprop-2-enylbenzene)
CID 154250998
4,4-diphenylbut-2-enal
CID 154401916
4-(1,2-diphenyl-2-pyridin-4-ylethyl)pyridine
CID 12691374
CID 88515342
CID 88515342
2-(1H-1,4-benzodiazepin-2-yl)-2-phenylacetaldehyde
CID 175050447
3,6-bis[fluoro(phenyl)methyl]-1,2,4,5-tetrazine
CID 169224852
[[hydroxy(phenyl)methyl]-dimethylsilyl]-phenylmethanol
CID 150347911

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2,2-diphenylethylidene)oxadiazole?
The IUPAC name of 4,5-bis(2,2-diphenylethylidene)oxadiazole (CID 175290942) is 4,5-bis(2,2-diphenylethylidene)oxadiazole.
What is the SMILES notation for 4,5-bis(2,2-diphenylethylidene)oxadiazole?
The canonical SMILES for 4,5-bis(2,2-diphenylethylidene)oxadiazole is C(=c1nnoc1=CC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,5-bis(2,2-diphenylethylidene)oxadiazole?
The InChIKey is DZYJQXPDNXBKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-29-30(33-32-31-29)22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22,27-28H.
What are the key properties of 4,5-bis(2,2-diphenylethylidene)oxadiazole?
4,5-bis(2,2-diphenylethylidene)oxadiazole has a molecular weight of 428.54 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2,2-diphenylethylidene)oxadiazole is sourced from PubChem (CID 175290942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).