bis(1,3-benzoxazole);stilbene

C28H22N2O2 — CID 66914199

IUPACbis(1,3-benzoxazole);stilbene
SMILESC(=Cc1ccccc1)c1ccccc1.c1ccc2ocnc2c1.c1ccc2ocnc2c1
InChIInChI=1S/C14H12.2C7H5NO/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-2-4-7-6(3-1)8-5-9-7/h1-12H;2*1-5H
InChIKeyALNDHUXNYOMYIH-UHFFFAOYSA-N
MW418.50 g/mol
LogP7.51
Rot. Bonds2

About bis(1,3-benzoxazole);stilbene

bis(1,3-benzoxazole);stilbene (PubChem CID 66914199) has the molecular formula C28H22N2O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is bis(1,3-benzoxazole);stilbene.

Molecular Properties

Compound Namebis(1,3-benzoxazole);stilbene
PubChem CID66914199
Molecular FormulaC28H22N2O2
Molecular Weight418.50 g/mol
Exact Mass418.17
IUPAC Namebis(1,3-benzoxazole);stilbene
SMILESC(=Cc1ccccc1)c1ccccc1.c1ccc2ocnc2c1.c1ccc2ocnc2c1
InChIInChI=1S/C14H12.2C7H5NO/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-2-4-7-6(3-1)8-5-9-7/h1-12H;2*1-5H
InChIKeyALNDHUXNYOMYIH-UHFFFAOYSA-N
XLogP7.51
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

CID 161250572
CID 161250572
1,3-benzoxazole;naphthalene
CID 69020592
1,3-benzoxazole;boric acid
CID 157492468
CID 174725184
CID 174725184
bis(1,3-benzoxazole);thiophene
CID 68571342
1,3-benzoxazole;quinoline
CID 87081350
1,3-benzoxazole;3H-thiophen-2-one
CID 175052438
6-phenyl-1,3-benzoxazole
CID 19026755
CID 70567885
CID 70567885
CID 70569152
CID 70569152
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328

Frequently Asked Questions

What is the IUPAC name of bis(1,3-benzoxazole);stilbene?
The IUPAC name of bis(1,3-benzoxazole);stilbene (CID 66914199) is bis(1,3-benzoxazole);stilbene.
What is the SMILES notation for bis(1,3-benzoxazole);stilbene?
The canonical SMILES for bis(1,3-benzoxazole);stilbene is C(=Cc1ccccc1)c1ccccc1.c1ccc2ocnc2c1.c1ccc2ocnc2c1.
What is the InChIKey of bis(1,3-benzoxazole);stilbene?
The InChIKey is ALNDHUXNYOMYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.2C7H5NO/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-2-4-7-6(3-1)8-5-9-7/h1-12H;2*1-5H.
What are the key properties of bis(1,3-benzoxazole);stilbene?
bis(1,3-benzoxazole);stilbene has a molecular weight of 418.50 g/mol, XLogP of 7.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-benzoxazole);stilbene is sourced from PubChem (CID 66914199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).