3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline

C29H27NO3 — CID 69462204

IUPAC3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline
SMILESCOc1cccc(/C=C/c2ccc(N(c3cccc(OC)c3)c3cccc(OC)c3)cc2)c1
InChIInChI=1S/C29H27NO3/c1-31-27-10-4-7-23(19-27)14-13-22-15-17-24(18-16-22)30(25-8-5-11-28(20-25)32-2)26-9-6-12-29(21-26)33-3/h4-21H,1-3H3/b14-13+
InChIKeyWCRQHIXLGJDKKO-BUHFOSPRSA-N
MW437.54 g/mol
LogP7.35
Rot. Bonds8

About 3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline

3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline (PubChem CID 69462204) has the molecular formula C29H27NO3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline
PubChem CID69462204
Molecular FormulaC29H27NO3
Molecular Weight437.54 g/mol
Exact Mass437.20
IUPAC Name3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline
SMILESCOc1cccc(/C=C/c2ccc(N(c3cccc(OC)c3)c3cccc(OC)c3)cc2)c1
InChIInChI=1S/C29H27NO3/c1-31-27-10-4-7-23(19-27)14-13-22-15-17-24(18-16-22)30(25-8-5-11-28(20-25)32-2)26-9-6-12-29(21-26)33-3/h4-21H,1-3H3/b14-13+
InChIKeyWCRQHIXLGJDKKO-BUHFOSPRSA-N
XLogP7.35
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 57.35
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

4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 166938463
1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
3-(N-[4-[4-(N-(3-methoxyphenyl)anilino)-N-[4-(N-(3-methoxyphenyl)anilino)phenyl]anilino]phenyl]anilino)benzaldehyde
CID 126595640
3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 89046788
3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline
CID 23399554
3-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-N-[3-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 118136756
4-methyl-N-[4-[(E)-2-(3-phenoxyphenyl)ethenyl]phenyl]-N-phenylaniline
CID 15180917
N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 14366512
1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
CID 59745960
3-methoxy-N-[4-[2-[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]ethynyl]phenyl]-N-(3-methoxyphenyl)aniline
CID 18996817
N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 155888504
N-[4-[bis[4-(N-(3-methoxyphenyl)anilino)phenyl]methyl]phenyl]-3-methoxy-N-phenylaniline
CID 58939356

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline?
The IUPAC name of 3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline (CID 69462204) is 3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline.
What is the SMILES notation for 3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline?
The canonical SMILES for 3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline is COc1cccc(/C=C/c2ccc(N(c3cccc(OC)c3)c3cccc(OC)c3)cc2)c1.
What is the InChIKey of 3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline?
The InChIKey is WCRQHIXLGJDKKO-BUHFOSPRSA-N. The full InChI is InChI=1S/C29H27NO3/c1-31-27-10-4-7-23(19-27)14-13-22-15-17-24(18-16-22)30(25-8-5-11-28(20-25)32-2)26-9-6-12-29(21-26)33-3/h4-21H,1-3H3/b14-13+.
What are the key properties of 3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline?
3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline has a molecular weight of 437.54 g/mol, XLogP of 7.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline is sourced from PubChem (CID 69462204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).