4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]-N,N-diphenylaniline

C25H21NOS — CID 20603561

IUPAC4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]-N,N-diphenylaniline
SMILESCOc1cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cs1
InChIInChI=1S/C25H21NOS/c1-27-25-18-21(19-28-25)13-12-20-14-16-24(17-15-20)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-19H,1H3/b13-12+
InChIKeyKWEKQLWTSZMEPC-OUKQBFOZSA-N
MW383.52 g/mol
LogP7.40
Rot. Bonds6

About 4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]-N,N-diphenylaniline

4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]-N,N-diphenylaniline (PubChem CID 20603561) has the molecular formula C25H21NOS and a molecular weight of 383.52 g/mol. Its IUPAC name is 4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]-N,N-diphenylaniline
PubChem CID20603561
Molecular FormulaC25H21NOS
Molecular Weight383.52 g/mol
Exact Mass383.13
IUPAC Name4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]-N,N-diphenylaniline
SMILESCOc1cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cs1
InChIInChI=1S/C25H21NOS/c1-27-25-18-21(19-28-25)13-12-20-14-16-24(17-15-20)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-19H,1H3/b13-12+
InChIKeyKWEKQLWTSZMEPC-OUKQBFOZSA-N
XLogP7.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.52
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
CID 59745960
4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 166938463
N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline
CID 14766504
N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 14366512
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline
CID 69462204
4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-N-[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline;4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline
CID 159424729
4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline
CID 59055952
3-chloro-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(3-chlorophenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 22900174

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]-N,N-diphenylaniline (CID 20603561) is 4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]-N,N-diphenylaniline is COc1cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cs1.
What is the InChIKey of 4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]-N,N-diphenylaniline?
The InChIKey is KWEKQLWTSZMEPC-OUKQBFOZSA-N. The full InChI is InChI=1S/C25H21NOS/c1-27-25-18-21(19-28-25)13-12-20-14-16-24(17-15-20)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-19H,1H3/b13-12+.
What are the key properties of 4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]-N,N-diphenylaniline?
4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]-N,N-diphenylaniline has a molecular weight of 383.52 g/mol, XLogP of 7.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]-N,N-diphenylaniline is sourced from PubChem (CID 20603561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).