4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]-N-[4-[(E)-2-[4-(methoxymethyl)phenyl]-2-phenylethenyl]phenyl]aniline

C38H37NO3 — CID 170098385

IUPAC4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]-N-[4-[(E)-2-[4-(methoxymethyl)phenyl]-2-phenylethenyl]phenyl]aniline
SMILESCOCc1ccc(/C(=C/c2ccc(N(c3ccc(COC)cc3)c3ccc(COC)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C38H37NO3/c1-40-26-30-9-17-34(18-10-30)38(33-7-5-4-6-8-33)25-29-11-19-35(20-12-29)39(36-21-13-31(14-22-36)27-41-2)37-23-15-32(16-24-37)28-42-3/h4-25H,26-28H2,1-3H3/b38-25+
InChIKeyTWNDJRRYOPKMMP-XPGZBYHPSA-N
MW555.72 g/mol
LogP9.18
Rot. Bonds12

About 4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]-N-[4-[(E)-2-[4-(methoxymethyl)phenyl]-2-phenylethenyl]phenyl]aniline

4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]-N-[4-[(E)-2-[4-(methoxymethyl)phenyl]-2-phenylethenyl]phenyl]aniline (PubChem CID 170098385) has the molecular formula C38H37NO3 and a molecular weight of 555.72 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]-N-[4-[(E)-2-[4-(methoxymethyl)phenyl]-2-phenylethenyl]phenyl]aniline.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]-N-[4-[(E)-2-[4-(methoxymethyl)phenyl]-2-phenylethenyl]phenyl]aniline
PubChem CID170098385
Molecular FormulaC38H37NO3
Molecular Weight555.72 g/mol
Exact Mass555.28
IUPAC Name4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]-N-[4-[(E)-2-[4-(methoxymethyl)phenyl]-2-phenylethenyl]phenyl]aniline
SMILESCOCc1ccc(/C(=C/c2ccc(N(c3ccc(COC)cc3)c3ccc(COC)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C38H37NO3/c1-40-26-30-9-17-34(18-10-30)38(33-7-5-4-6-8-33)25-29-11-19-35(20-12-29)39(36-21-13-31(14-22-36)27-41-2)37-23-15-32(16-24-37)28-42-3/h4-25H,26-28H2,1-3H3/b38-25+
InChIKeyTWNDJRRYOPKMMP-XPGZBYHPSA-N
XLogP9.18
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.72
LogP ≤ 59.18
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-[(Z)-2-[4-[4-(hydroxymethyl)-N-[4-(hydroxymethyl)phenyl]anilino]phenyl]-1-phenylethenyl]phenyl]methanol
CID 146521934
N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[2-[4-[2-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-ethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-ethylaniline
CID 72573965
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 163788418
4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 163442886
1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone
CID 91417911
N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(ethoxymethyl)-3-methylphenyl]-4-(methoxymethyl)-3-methylaniline
CID 58789561
[4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate
CID 135297284
N-[4-(2,2-diphenylethenyl)phenyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-N-phenylaniline
CID 59935129
[4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)anilino]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol
CID 58325614
[4-[4-(hydroxymethyl)-N-[4-[(Z)-1-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-2-[4-[(E)-2-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino]phenyl]methanol
CID 159978372

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]-N-[4-[(E)-2-[4-(methoxymethyl)phenyl]-2-phenylethenyl]phenyl]aniline?
The IUPAC name of 4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]-N-[4-[(E)-2-[4-(methoxymethyl)phenyl]-2-phenylethenyl]phenyl]aniline (CID 170098385) is 4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]-N-[4-[(E)-2-[4-(methoxymethyl)phenyl]-2-phenylethenyl]phenyl]aniline.
What is the SMILES notation for 4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]-N-[4-[(E)-2-[4-(methoxymethyl)phenyl]-2-phenylethenyl]phenyl]aniline?
The canonical SMILES for 4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]-N-[4-[(E)-2-[4-(methoxymethyl)phenyl]-2-phenylethenyl]phenyl]aniline is COCc1ccc(/C(=C/c2ccc(N(c3ccc(COC)cc3)c3ccc(COC)cc3)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]-N-[4-[(E)-2-[4-(methoxymethyl)phenyl]-2-phenylethenyl]phenyl]aniline?
The InChIKey is TWNDJRRYOPKMMP-XPGZBYHPSA-N. The full InChI is InChI=1S/C38H37NO3/c1-40-26-30-9-17-34(18-10-30)38(33-7-5-4-6-8-33)25-29-11-19-35(20-12-29)39(36-21-13-31(14-22-36)27-41-2)37-23-15-32(16-24-37)28-42-3/h4-25H,26-28H2,1-3H3/b38-25+.
What are the key properties of 4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]-N-[4-[(E)-2-[4-(methoxymethyl)phenyl]-2-phenylethenyl]phenyl]aniline?
4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]-N-[4-[(E)-2-[4-(methoxymethyl)phenyl]-2-phenylethenyl]phenyl]aniline has a molecular weight of 555.72 g/mol, XLogP of 9.18, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]-N-[4-[(E)-2-[4-(methoxymethyl)phenyl]-2-phenylethenyl]phenyl]aniline is sourced from PubChem (CID 170098385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).