2-(dimethylamino)-4-[2-[3-[2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]phenyl]ethenyl]phenol

C26H28N2O2 — CID 91343377

IUPAC2-(dimethylamino)-4-[2-[3-[2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]phenyl]ethenyl]phenol
SMILESCN(C)c1cc(C=Cc2cccc(C=Cc3ccc(O)c(N(C)C)c3)c2)ccc1O
InChIInChI=1S/C26H28N2O2/c1-27(2)23-17-21(12-14-25(23)29)10-8-19-6-5-7-20(16-19)9-11-22-13-15-26(30)24(18-22)28(3)4/h5-18,29-30H,1-4H3
InChIKeyRHWASPNJMKUDHB-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.57
Rot. Bonds6

About 2-(dimethylamino)-4-[2-[3-[2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]phenyl]ethenyl]phenol

2-(dimethylamino)-4-[2-[3-[2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]phenyl]ethenyl]phenol (PubChem CID 91343377) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-(dimethylamino)-4-[2-[3-[2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]phenyl]ethenyl]phenol.

Molecular Properties

Compound Name2-(dimethylamino)-4-[2-[3-[2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]phenyl]ethenyl]phenol
PubChem CID91343377
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name2-(dimethylamino)-4-[2-[3-[2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]phenyl]ethenyl]phenol
SMILESCN(C)c1cc(C=Cc2cccc(C=Cc3ccc(O)c(N(C)C)c3)c2)ccc1O
InChIInChI=1S/C26H28N2O2/c1-27(2)23-17-21(12-14-25(23)29)10-8-19-6-5-7-20(16-19)9-11-22-13-15-26(30)24(18-22)28(3)4/h5-18,29-30H,1-4H3
InChIKeyRHWASPNJMKUDHB-UHFFFAOYSA-N
XLogP5.57
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.57
H-Bond Donors ≤ 52
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-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
2-(dimethylamino)-6-[(E)-2-phenylethenyl]phenol
CID 174746341
4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol
CID 71680339
2-(dimethylamino)-4-[2-[6-[2-[5-(dimethylamino)-4-hydroxycyclohexa-1,5-dien-1-yl]ethenyl]-2-methylsulfanylpyrimidin-4-yl]ethenyl]phenol
CID 136600683
N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline
CID 6538430
3-[2-(3-hydroxyphenyl)ethenyl]benzene-1,2,4-triol
CID 173498744
3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde
CID 59310574
4-(dimethylamino)-3-hydroxybenzaldehyde
CID 21478067
5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hydroxybenzoic acid
CID 59595410
4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 102038782
2,3-bis(dimethylamino)phenol
CID 22357103
(1E,6E)-1-[4-(dimethylamino)-3-methoxyphenyl]-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68551288

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-[2-[3-[2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]phenyl]ethenyl]phenol?
The IUPAC name of 2-(dimethylamino)-4-[2-[3-[2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]phenyl]ethenyl]phenol (CID 91343377) is 2-(dimethylamino)-4-[2-[3-[2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]phenyl]ethenyl]phenol.
What is the SMILES notation for 2-(dimethylamino)-4-[2-[3-[2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]phenyl]ethenyl]phenol?
The canonical SMILES for 2-(dimethylamino)-4-[2-[3-[2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]phenyl]ethenyl]phenol is CN(C)c1cc(C=Cc2cccc(C=Cc3ccc(O)c(N(C)C)c3)c2)ccc1O.
What is the InChIKey of 2-(dimethylamino)-4-[2-[3-[2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]phenyl]ethenyl]phenol?
The InChIKey is RHWASPNJMKUDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-27(2)23-17-21(12-14-25(23)29)10-8-19-6-5-7-20(16-19)9-11-22-13-15-26(30)24(18-22)28(3)4/h5-18,29-30H,1-4H3.
What are the key properties of 2-(dimethylamino)-4-[2-[3-[2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]phenyl]ethenyl]phenol?
2-(dimethylamino)-4-[2-[3-[2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]phenyl]ethenyl]phenol has a molecular weight of 400.52 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-[2-[3-[2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]phenyl]ethenyl]phenol is sourced from PubChem (CID 91343377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).