3-(2-ethenylphenyl)-N,N-diphenylaniline

C26H21N — CID 91124451

IUPAC3-(2-ethenylphenyl)-N,N-diphenylaniline
SMILESC=Cc1ccccc1-c1cccc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H21N/c1-2-21-12-9-10-19-26(21)22-13-11-18-25(20-22)27(23-14-5-3-6-15-23)24-16-7-4-8-17-24/h2-20H,1H2
InChIKeyICJAIUWJNAIXPQ-UHFFFAOYSA-N
MW347.46 g/mol
LogP7.47
Rot. Bonds5

About 3-(2-ethenylphenyl)-N,N-diphenylaniline

3-(2-ethenylphenyl)-N,N-diphenylaniline (PubChem CID 91124451) has the molecular formula C26H21N and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(2-ethenylphenyl)-N,N-diphenylaniline.

Molecular Properties

Compound Name3-(2-ethenylphenyl)-N,N-diphenylaniline
PubChem CID91124451
Molecular FormulaC26H21N
Molecular Weight347.46 g/mol
Exact Mass347.17
IUPAC Name3-(2-ethenylphenyl)-N,N-diphenylaniline
SMILESC=Cc1ccccc1-c1cccc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H21N/c1-2-21-12-9-10-19-26(21)22-13-11-18-25(20-22)27(23-14-5-3-6-15-23)24-16-7-4-8-17-24/h2-20H,1H2
InChIKeyICJAIUWJNAIXPQ-UHFFFAOYSA-N
XLogP7.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[2'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167610990
N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58729717
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 161496261
N-phenyl-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 166591076
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
3-[3-(3-ethenylphenyl)phenyl]-N-[4-[4-(N-[3-[3-(3-ethenylphenyl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 58113558
3-ethenyl-N-(3-ethenylphenyl)-N-phenylaniline
CID 58099838
3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline
CID 67071863
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethenylphenyl)-N,N-diphenylaniline?
The IUPAC name of 3-(2-ethenylphenyl)-N,N-diphenylaniline (CID 91124451) is 3-(2-ethenylphenyl)-N,N-diphenylaniline.
What is the SMILES notation for 3-(2-ethenylphenyl)-N,N-diphenylaniline?
The canonical SMILES for 3-(2-ethenylphenyl)-N,N-diphenylaniline is C=Cc1ccccc1-c1cccc(N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-(2-ethenylphenyl)-N,N-diphenylaniline?
The InChIKey is ICJAIUWJNAIXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N/c1-2-21-12-9-10-19-26(21)22-13-11-18-25(20-22)27(23-14-5-3-6-15-23)24-16-7-4-8-17-24/h2-20H,1H2.
What are the key properties of 3-(2-ethenylphenyl)-N,N-diphenylaniline?
3-(2-ethenylphenyl)-N,N-diphenylaniline has a molecular weight of 347.46 g/mol, XLogP of 7.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenylphenyl)-N,N-diphenylaniline is sourced from PubChem (CID 91124451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).