4-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline

C42H38N2O4 — CID 18996630

IUPAC4-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C42H38N2O4/c1-45-39-23-15-35(16-24-39)43(36-17-25-40(46-2)26-18-36)33-11-7-31(8-12-33)5-6-32-9-13-34(14-10-32)44(37-19-27-41(47-3)28-20-37)38-21-29-42(48-4)30-22-38/h5-30H,1-4H3/b6-5+
InChIKeyHAVGSGBHMVNTEO-AATRIKPKSA-N
MW634.78 g/mol
LogP10.83
Rot. Bonds12

About 4-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline

4-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline (PubChem CID 18996630) has the molecular formula C42H38N2O4 and a molecular weight of 634.78 g/mol. Its IUPAC name is 4-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name4-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
PubChem CID18996630
Molecular FormulaC42H38N2O4
Molecular Weight634.78 g/mol
Exact Mass634.28
IUPAC Name4-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C42H38N2O4/c1-45-39-23-15-35(16-24-39)43(36-17-25-40(46-2)26-18-36)33-11-7-31(8-12-33)5-6-32-9-13-34(14-10-32)44(37-19-27-41(47-3)28-20-37)38-21-29-42(48-4)30-22-38/h5-30H,1-4H3/b6-5+
InChIKeyHAVGSGBHMVNTEO-AATRIKPKSA-N
XLogP10.83
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.78
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline?
The IUPAC name of 4-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline (CID 18996630) is 4-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline.
What is the SMILES notation for 4-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline?
The canonical SMILES for 4-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline is COc1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline?
The InChIKey is HAVGSGBHMVNTEO-AATRIKPKSA-N. The full InChI is InChI=1S/C42H38N2O4/c1-45-39-23-15-35(16-24-39)43(36-17-25-40(46-2)26-18-36)33-11-7-31(8-12-33)5-6-32-9-13-34(14-10-32)44(37-19-27-41(47-3)28-20-37)38-21-29-42(48-4)30-22-38/h5-30H,1-4H3/b6-5+.
What are the key properties of 4-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline?
4-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline has a molecular weight of 634.78 g/mol, XLogP of 10.83, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline is sourced from PubChem (CID 18996630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).