4-[1-(4-hydroxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenol

C34H29NO2 — CID 11340671

IUPAC4-[1-(4-hydroxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenol
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(C=C(c3ccc(O)cc3)c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C34H29NO2/c1-24-3-13-29(14-4-24)35(30-15-5-25(2)6-16-30)31-17-7-26(8-18-31)23-34(27-9-19-32(36)20-10-27)28-11-21-33(37)22-12-28/h3-23,36-37H,1-2H3
InChIKeyFFZBUVQDWOZOEP-UHFFFAOYSA-N
MW483.61 g/mol
LogP8.77
Rot. Bonds6

About 4-[1-(4-hydroxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenol

4-[1-(4-hydroxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenol (PubChem CID 11340671) has the molecular formula C34H29NO2 and a molecular weight of 483.61 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenol
PubChem CID11340671
Molecular FormulaC34H29NO2
Molecular Weight483.61 g/mol
Exact Mass483.22
IUPAC Name4-[1-(4-hydroxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenol
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(C=C(c3ccc(O)cc3)c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C34H29NO2/c1-24-3-13-29(14-4-24)35(30-15-5-25(2)6-16-30)31-17-7-26(8-18-31)23-34(27-9-19-32(36)20-10-27)28-11-21-33(37)22-12-28/h3-23,36-37H,1-2H3
InChIKeyFFZBUVQDWOZOEP-UHFFFAOYSA-N
XLogP8.77
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.61
LogP ≤ 58.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenol (CID 11340671) is 4-[1-(4-hydroxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenol is Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=C(c3ccc(O)cc3)c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenol?
The InChIKey is FFZBUVQDWOZOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29NO2/c1-24-3-13-29(14-4-24)35(30-15-5-25(2)6-16-30)31-17-7-26(8-18-31)23-34(27-9-19-32(36)20-10-27)28-11-21-33(37)22-12-28/h3-23,36-37H,1-2H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenol?
4-[1-(4-hydroxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenol has a molecular weight of 483.61 g/mol, XLogP of 8.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenol is sourced from PubChem (CID 11340671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).