2-[2-(1,3-benzoxazol-2-yl)-3-(2-phenylethenyl)phenyl]-1,3-benzoxazole

C28H18N2O2 — CID 66632970

IUPAC2-[2-(1,3-benzoxazol-2-yl)-3-(2-phenylethenyl)phenyl]-1,3-benzoxazole
SMILESC(=Cc1cccc(-c2nc3ccccc3o2)c1-c1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C28H18N2O2/c1-2-9-19(10-3-1)17-18-20-11-8-12-21(27-29-22-13-4-6-15-24(22)31-27)26(20)28-30-23-14-5-7-16-25(23)32-28/h1-18H
InChIKeyBBTQIJBROTXKGA-UHFFFAOYSA-N
MW414.46 g/mol
LogP7.47
Rot. Bonds4

About 2-[2-(1,3-benzoxazol-2-yl)-3-(2-phenylethenyl)phenyl]-1,3-benzoxazole

2-[2-(1,3-benzoxazol-2-yl)-3-(2-phenylethenyl)phenyl]-1,3-benzoxazole (PubChem CID 66632970) has the molecular formula C28H18N2O2 and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-[2-(1,3-benzoxazol-2-yl)-3-(2-phenylethenyl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-(1,3-benzoxazol-2-yl)-3-(2-phenylethenyl)phenyl]-1,3-benzoxazole
PubChem CID66632970
Molecular FormulaC28H18N2O2
Molecular Weight414.46 g/mol
Exact Mass414.14
IUPAC Name2-[2-(1,3-benzoxazol-2-yl)-3-(2-phenylethenyl)phenyl]-1,3-benzoxazole
SMILESC(=Cc1cccc(-c2nc3ccccc3o2)c1-c1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C28H18N2O2/c1-2-9-19(10-3-1)17-18-20-11-8-12-21(27-29-22-13-4-6-15-24(22)31-27)26(20)28-30-23-14-5-7-16-25(23)32-28/h1-18H
InChIKeyBBTQIJBROTXKGA-UHFFFAOYSA-N
XLogP7.47
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 57.47
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

2-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]-1,3-benzoxazole
CID 70587821
4-aminobenzoic acid;2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole
CID 175306956
5-methyl-2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole
CID 67188632
4-phenyl-2-[2-[(E)-2-phenylethenyl]phenyl]-1,3-benzoxazole
CID 22377866
2-[4-(4-phenylbuta-1,3-dienyl)phenyl]-1,3-benzoxazole
CID 154207991
2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole
CID 19044929
[2-[2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl] hydrogen carbonate
CID 70586755
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
2-(2-chlorophenyl)-1,3-benzoxazole
CID 3014177
2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
CID 651855
4-[2-(1,3-benzoxazol-2-yl)phenyl]benzaldehyde
CID 90680934
4-[(E)-2-[3-(1,3-benzoxazol-2-yl)-1-methylpyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline
CID 12597871

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzoxazol-2-yl)-3-(2-phenylethenyl)phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[2-(1,3-benzoxazol-2-yl)-3-(2-phenylethenyl)phenyl]-1,3-benzoxazole (CID 66632970) is 2-[2-(1,3-benzoxazol-2-yl)-3-(2-phenylethenyl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[2-(1,3-benzoxazol-2-yl)-3-(2-phenylethenyl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[2-(1,3-benzoxazol-2-yl)-3-(2-phenylethenyl)phenyl]-1,3-benzoxazole is C(=Cc1cccc(-c2nc3ccccc3o2)c1-c1nc2ccccc2o1)c1ccccc1.
What is the InChIKey of 2-[2-(1,3-benzoxazol-2-yl)-3-(2-phenylethenyl)phenyl]-1,3-benzoxazole?
The InChIKey is BBTQIJBROTXKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2O2/c1-2-9-19(10-3-1)17-18-20-11-8-12-21(27-29-22-13-4-6-15-24(22)31-27)26(20)28-30-23-14-5-7-16-25(23)32-28/h1-18H.
What are the key properties of 2-[2-(1,3-benzoxazol-2-yl)-3-(2-phenylethenyl)phenyl]-1,3-benzoxazole?
2-[2-(1,3-benzoxazol-2-yl)-3-(2-phenylethenyl)phenyl]-1,3-benzoxazole has a molecular weight of 414.46 g/mol, XLogP of 7.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzoxazol-2-yl)-3-(2-phenylethenyl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 66632970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).