2-(dimethylamino)-4-[(E)-2-[3-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-5-hydroxyphenyl]ethenyl]phenol

C26H28N2O3 — CID 46849918

IUPAC2-(dimethylamino)-4-[(E)-2-[3-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-5-hydroxyphenyl]ethenyl]phenol
SMILESCN(C)c1cc(/C=C/c2cc(O)cc(/C=C/c3ccc(O)c(N(C)C)c3)c2)ccc1O
InChIInChI=1S/C26H28N2O3/c1-27(2)23-16-18(9-11-25(23)30)5-7-20-13-21(15-22(29)14-20)8-6-19-10-12-26(31)24(17-19)28(3)4/h5-17,29-31H,1-4H3/b7-5+,8-6+
InChIKeyBSBDLFPRAJHVHD-KQQUZDAGSA-N
MW416.52 g/mol
LogP5.28
Rot. Bonds6

About 2-(dimethylamino)-4-[(E)-2-[3-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-5-hydroxyphenyl]ethenyl]phenol

2-(dimethylamino)-4-[(E)-2-[3-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-5-hydroxyphenyl]ethenyl]phenol (PubChem CID 46849918) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-(dimethylamino)-4-[(E)-2-[3-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-5-hydroxyphenyl]ethenyl]phenol.

Molecular Properties

Compound Name2-(dimethylamino)-4-[(E)-2-[3-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-5-hydroxyphenyl]ethenyl]phenol
PubChem CID46849918
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name2-(dimethylamino)-4-[(E)-2-[3-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-5-hydroxyphenyl]ethenyl]phenol
SMILESCN(C)c1cc(/C=C/c2cc(O)cc(/C=C/c3ccc(O)c(N(C)C)c3)c2)ccc1O
InChIInChI=1S/C26H28N2O3/c1-27(2)23-16-18(9-11-25(23)30)5-7-20-13-21(15-22(29)14-20)8-6-19-10-12-26(31)24(17-19)28(3)4/h5-17,29-31H,1-4H3/b7-5+,8-6+
InChIKeyBSBDLFPRAJHVHD-KQQUZDAGSA-N
XLogP5.28
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-[(E)-2-[3-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-5-hydroxyphenyl]ethenyl]phenol?
The IUPAC name of 2-(dimethylamino)-4-[(E)-2-[3-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-5-hydroxyphenyl]ethenyl]phenol (CID 46849918) is 2-(dimethylamino)-4-[(E)-2-[3-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-5-hydroxyphenyl]ethenyl]phenol.
What is the SMILES notation for 2-(dimethylamino)-4-[(E)-2-[3-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-5-hydroxyphenyl]ethenyl]phenol?
The canonical SMILES for 2-(dimethylamino)-4-[(E)-2-[3-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-5-hydroxyphenyl]ethenyl]phenol is CN(C)c1cc(/C=C/c2cc(O)cc(/C=C/c3ccc(O)c(N(C)C)c3)c2)ccc1O.
What is the InChIKey of 2-(dimethylamino)-4-[(E)-2-[3-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-5-hydroxyphenyl]ethenyl]phenol?
The InChIKey is BSBDLFPRAJHVHD-KQQUZDAGSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-27(2)23-16-18(9-11-25(23)30)5-7-20-13-21(15-22(29)14-20)8-6-19-10-12-26(31)24(17-19)28(3)4/h5-17,29-31H,1-4H3/b7-5+,8-6+.
What are the key properties of 2-(dimethylamino)-4-[(E)-2-[3-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-5-hydroxyphenyl]ethenyl]phenol?
2-(dimethylamino)-4-[(E)-2-[3-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-5-hydroxyphenyl]ethenyl]phenol has a molecular weight of 416.52 g/mol, XLogP of 5.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-[(E)-2-[3-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-5-hydroxyphenyl]ethenyl]phenol is sourced from PubChem (CID 46849918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).