4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline

C42H38N2 — CID 59722336

IUPAC4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
SMILESCCc1ccc(N(c2ccccc2)c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccc(CC)cc4)cc3)cc2)cc1
InChIInChI=1S/C42H38N2/c1-3-33-17-25-39(26-18-33)43(37-11-7-5-8-12-37)41-29-21-35(22-30-41)15-16-36-23-31-42(32-24-36)44(38-13-9-6-10-14-38)40-27-19-34(4-2)20-28-40/h5-32H,3-4H2,1-2H3/b16-15+
InChIKeySUBGCODPPYDDRR-FOCLMDBBSA-N
MW570.78 g/mol
LogP11.92
Rot. Bonds10

About 4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline

4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline (PubChem CID 59722336) has the molecular formula C42H38N2 and a molecular weight of 570.78 g/mol. Its IUPAC name is 4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
PubChem CID59722336
Molecular FormulaC42H38N2
Molecular Weight570.78 g/mol
Exact Mass570.30
IUPAC Name4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
SMILESCCc1ccc(N(c2ccccc2)c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccc(CC)cc4)cc3)cc2)cc1
InChIInChI=1S/C42H38N2/c1-3-33-17-25-39(26-18-33)43(37-11-7-5-8-12-37)41-29-21-35(22-30-41)15-16-36-23-31-42(32-24-36)44(38-13-9-6-10-14-38)40-27-19-34(4-2)20-28-40/h5-32H,3-4H2,1-2H3/b16-15+
InChIKeySUBGCODPPYDDRR-FOCLMDBBSA-N
XLogP11.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.78
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline?
The IUPAC name of 4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline (CID 59722336) is 4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline?
The canonical SMILES for 4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline is CCc1ccc(N(c2ccccc2)c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccc(CC)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline?
The InChIKey is SUBGCODPPYDDRR-FOCLMDBBSA-N. The full InChI is InChI=1S/C42H38N2/c1-3-33-17-25-39(26-18-33)43(37-11-7-5-8-12-37)41-29-21-35(22-30-41)15-16-36-23-31-42(32-24-36)44(38-13-9-6-10-14-38)40-27-19-34(4-2)20-28-40/h5-32H,3-4H2,1-2H3/b16-15+.
What are the key properties of 4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline?
4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline has a molecular weight of 570.78 g/mol, XLogP of 11.92, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 59722336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).