4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline

C27H20N2O — CID 20692325

IUPAC4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline
SMILESC(=C/c1nc2ccccc2o1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H20N2O/c1-3-9-22(10-4-1)29(23-11-5-2-6-12-23)24-18-15-21(16-19-24)17-20-27-28-25-13-7-8-14-26(25)30-27/h1-20H/b20-17+
InChIKeyXICSCIQWKDOMJX-LVZFUZTISA-N
MW388.47 g/mol
LogP7.47
Rot. Bonds5

About 4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline

4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline (PubChem CID 20692325) has the molecular formula C27H20N2O and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline
PubChem CID20692325
Molecular FormulaC27H20N2O
Molecular Weight388.47 g/mol
Exact Mass388.16
IUPAC Name4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline
SMILESC(=C/c1nc2ccccc2o1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H20N2O/c1-3-9-22(10-4-1)29(23-11-5-2-6-12-23)24-18-15-21(16-19-24)17-20-27-28-25-13-7-8-14-26(25)30-27/h1-20H/b20-17+
InChIKeyXICSCIQWKDOMJX-LVZFUZTISA-N
XLogP7.47
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-benzo[f][1,3]benzoxazol-2-ylethenyl)-N,N-diphenylaniline
CID 70180312
4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline
CID 59970337
2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole
CID 6215281
4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline
CID 3147188
4-[1-[[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]methyl]triazol-4-yl]-N-[4-[1-[[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]methyl]triazol-4-yl]phenyl]-N-phenylaniline
CID 132528581
1-(1,3-benzoxazol-2-yl)-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one
CID 74005289
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole
CID 5377707
2-[2-[3,5,6-tris[2-(1,3-benzoxazol-2-yl)ethenyl]pyrazin-2-yl]ethenyl]-1,3-benzoxazole
CID 57286159
2-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]-1,3-benzoxazole
CID 155553595

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline (CID 20692325) is 4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline is C(=C/c1nc2ccccc2o1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline?
The InChIKey is XICSCIQWKDOMJX-LVZFUZTISA-N. The full InChI is InChI=1S/C27H20N2O/c1-3-9-22(10-4-1)29(23-11-5-2-6-12-23)24-18-15-21(16-19-24)17-20-27-28-25-13-7-8-14-26(25)30-27/h1-20H/b20-17+.
What are the key properties of 4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline?
4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline has a molecular weight of 388.47 g/mol, XLogP of 7.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline is sourced from PubChem (CID 20692325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).