4-(2-benzo[f][1,3]benzoxazol-2-ylethenyl)-N,N-diphenylaniline

C31H22N2O — CID 70180312

IUPAC4-(2-benzo[f][1,3]benzoxazol-2-ylethenyl)-N,N-diphenylaniline
SMILESC(=Cc1nc2cc3ccccc3cc2o1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H22N2O/c1-3-11-26(12-4-1)33(27-13-5-2-6-14-27)28-18-15-23(16-19-28)17-20-31-32-29-21-24-9-7-8-10-25(24)22-30(29)34-31/h1-22H
InChIKeyOYEQXYAOLDMMAS-UHFFFAOYSA-N
MW438.53 g/mol
LogP8.62
Rot. Bonds5

About 4-(2-benzo[f][1,3]benzoxazol-2-ylethenyl)-N,N-diphenylaniline

4-(2-benzo[f][1,3]benzoxazol-2-ylethenyl)-N,N-diphenylaniline (PubChem CID 70180312) has the molecular formula C31H22N2O and a molecular weight of 438.53 g/mol. Its IUPAC name is 4-(2-benzo[f][1,3]benzoxazol-2-ylethenyl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(2-benzo[f][1,3]benzoxazol-2-ylethenyl)-N,N-diphenylaniline
PubChem CID70180312
Molecular FormulaC31H22N2O
Molecular Weight438.53 g/mol
Exact Mass438.17
IUPAC Name4-(2-benzo[f][1,3]benzoxazol-2-ylethenyl)-N,N-diphenylaniline
SMILESC(=Cc1nc2cc3ccccc3cc2o1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H22N2O/c1-3-11-26(12-4-1)33(27-13-5-2-6-14-27)28-18-15-23(16-19-28)17-20-31-32-29-21-24-9-7-8-10-25(24)22-30(29)34-31/h1-22H
InChIKeyOYEQXYAOLDMMAS-UHFFFAOYSA-N
XLogP8.62
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-benzo[f][1,3]benzoxazol-2-ylethenyl)-N,N-diphenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline
CID 20692325
4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline
CID 59970337
4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline
CID 20801910
N,N-dimethyl-4-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]aniline
CID 3723624
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
4-[(E)-2-[4,6-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-1,3,5-triazin-2-yl]ethenyl]-N,N-diphenylaniline
CID 102184385
4-N-[4-(2-anthracen-2-ylethenyl)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 142090420
5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole
CID 95479673
5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole
CID 6139123
N,N-diphenyl-4-[2-[1-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]aniline
CID 173070087

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzo[f][1,3]benzoxazol-2-ylethenyl)-N,N-diphenylaniline?
The IUPAC name of 4-(2-benzo[f][1,3]benzoxazol-2-ylethenyl)-N,N-diphenylaniline (CID 70180312) is 4-(2-benzo[f][1,3]benzoxazol-2-ylethenyl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(2-benzo[f][1,3]benzoxazol-2-ylethenyl)-N,N-diphenylaniline?
The canonical SMILES for 4-(2-benzo[f][1,3]benzoxazol-2-ylethenyl)-N,N-diphenylaniline is C(=Cc1nc2cc3ccccc3cc2o1)c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(2-benzo[f][1,3]benzoxazol-2-ylethenyl)-N,N-diphenylaniline?
The InChIKey is OYEQXYAOLDMMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2O/c1-3-11-26(12-4-1)33(27-13-5-2-6-14-27)28-18-15-23(16-19-28)17-20-31-32-29-21-24-9-7-8-10-25(24)22-30(29)34-31/h1-22H.
What are the key properties of 4-(2-benzo[f][1,3]benzoxazol-2-ylethenyl)-N,N-diphenylaniline?
4-(2-benzo[f][1,3]benzoxazol-2-ylethenyl)-N,N-diphenylaniline has a molecular weight of 438.53 g/mol, XLogP of 8.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzo[f][1,3]benzoxazol-2-ylethenyl)-N,N-diphenylaniline is sourced from PubChem (CID 70180312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).