N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline

C29H27NO2 — CID 14746604

IUPACN,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline
SMILESCOc1ccc(N(c2ccc(/C=C/c3ccc(C)cc3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H27NO2/c1-22-4-6-23(7-5-22)8-9-24-10-12-25(13-11-24)30(26-14-18-28(31-2)19-15-26)27-16-20-29(32-3)21-17-27/h4-21H,1-3H3/b9-8+
InChIKeyOAPVNBKUMUZAAC-CMDGGOBGSA-N
MW421.54 g/mol
LogP7.65
Rot. Bonds7

About N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline

N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline (PubChem CID 14746604) has the molecular formula C29H27NO2 and a molecular weight of 421.54 g/mol. Its IUPAC name is N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline.

Molecular Properties

Compound NameN,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline
PubChem CID14746604
Molecular FormulaC29H27NO2
Molecular Weight421.54 g/mol
Exact Mass421.20
IUPAC NameN,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline
SMILESCOc1ccc(N(c2ccc(/C=C/c3ccc(C)cc3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H27NO2/c1-22-4-6-23(7-5-22)8-9-24-10-12-25(13-11-24)30(26-14-18-28(31-2)19-15-26)27-16-20-29(32-3)21-17-27/h4-21H,1-3H3/b9-8+
InChIKeyOAPVNBKUMUZAAC-CMDGGOBGSA-N
XLogP7.65
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 57.65
H-Bond Donors ≤ 50
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 N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline?
The IUPAC name of N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline (CID 14746604) is N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline.
What is the SMILES notation for N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline?
The canonical SMILES for N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline is COc1ccc(N(c2ccc(/C=C/c3ccc(C)cc3)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline?
The InChIKey is OAPVNBKUMUZAAC-CMDGGOBGSA-N. The full InChI is InChI=1S/C29H27NO2/c1-22-4-6-23(7-5-22)8-9-24-10-12-25(13-11-24)30(26-14-18-28(31-2)19-15-26)27-16-20-29(32-3)21-17-27/h4-21H,1-3H3/b9-8+.
What are the key properties of N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline?
N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline has a molecular weight of 421.54 g/mol, XLogP of 7.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline is sourced from PubChem (CID 14746604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).