N-[4-[2-[4-[2-[4-(4-ethyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)-3-methylaniline

C52H48N2 — CID 73195825

IUPACN-[4-[2-[4-[2-[4-(4-ethyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)-3-methylaniline
SMILESCCc1ccc(N(c2ccc(C=Cc3ccc(C=Cc4ccc(N(c5ccc(CC)cc5)c5cccc(C)c5)cc4)cc3)cc2)c2cccc(C)c2)cc1
InChIInChI=1S/C52H48N2/c1-5-41-21-29-47(30-22-41)53(51-11-7-9-39(3)37-51)49-33-25-45(26-34-49)19-17-43-13-15-44(16-14-43)18-20-46-27-35-50(36-28-46)54(52-12-8-10-40(4)38-52)48-31-23-42(6-2)24-32-48/h7-38H,5-6H2,1-4H3
InChIKeyMITGWHQOMFMUFD-UHFFFAOYSA-N
MW700.97 g/mol
LogP14.71
Rot. Bonds12

About N-[4-[2-[4-[2-[4-(4-ethyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)-3-methylaniline

N-[4-[2-[4-[2-[4-(4-ethyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)-3-methylaniline (PubChem CID 73195825) has the molecular formula C52H48N2 and a molecular weight of 700.97 g/mol. Its IUPAC name is N-[4-[2-[4-[2-[4-(4-ethyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)-3-methylaniline.

Molecular Properties

Compound NameN-[4-[2-[4-[2-[4-(4-ethyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)-3-methylaniline
PubChem CID73195825
Molecular FormulaC52H48N2
Molecular Weight700.97 g/mol
Exact Mass700.38
IUPAC NameN-[4-[2-[4-[2-[4-(4-ethyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)-3-methylaniline
SMILESCCc1ccc(N(c2ccc(C=Cc3ccc(C=Cc4ccc(N(c5ccc(CC)cc5)c5cccc(C)c5)cc4)cc3)cc2)c2cccc(C)c2)cc1
InChIInChI=1S/C52H48N2/c1-5-41-21-29-47(30-22-41)53(51-11-7-9-39(3)37-51)49-33-25-45(26-34-49)19-17-43-13-15-44(16-14-43)18-20-46-27-35-50(36-28-46)54(52-12-8-10-40(4)38-52)48-31-23-42(6-2)24-32-48/h7-38H,5-6H2,1-4H3
InChIKeyMITGWHQOMFMUFD-UHFFFAOYSA-N
XLogP14.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.97
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline
CID 59938925
4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
CID 59722336
3-methyl-N-(3-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 90810762
ethane;4-ethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-ethyl-N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)aniline;4-methyl-N-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 91530733
3-methyl-N-(3-methylphenyl)-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89068114
1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 102133829
3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 91343059
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline
CID 89068068
2-N,7-N-bis(4-ethylphenyl)-9,10-dimethyl-2-N,7-N-bis(3-methylphenyl)phenanthrene-2,7-diamine
CID 20685721
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
3-methyl-4-[2-[4-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline
CID 59920425
N-[4-[4-[(E)-2-[4-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-3-methylaniline
CID 89067945

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[2-[4-(4-ethyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)-3-methylaniline?
The IUPAC name of N-[4-[2-[4-[2-[4-(4-ethyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)-3-methylaniline (CID 73195825) is N-[4-[2-[4-[2-[4-(4-ethyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)-3-methylaniline.
What is the SMILES notation for N-[4-[2-[4-[2-[4-(4-ethyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)-3-methylaniline?
The canonical SMILES for N-[4-[2-[4-[2-[4-(4-ethyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)-3-methylaniline is CCc1ccc(N(c2ccc(C=Cc3ccc(C=Cc4ccc(N(c5ccc(CC)cc5)c5cccc(C)c5)cc4)cc3)cc2)c2cccc(C)c2)cc1.
What is the InChIKey of N-[4-[2-[4-[2-[4-(4-ethyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)-3-methylaniline?
The InChIKey is MITGWHQOMFMUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H48N2/c1-5-41-21-29-47(30-22-41)53(51-11-7-9-39(3)37-51)49-33-25-45(26-34-49)19-17-43-13-15-44(16-14-43)18-20-46-27-35-50(36-28-46)54(52-12-8-10-40(4)38-52)48-31-23-42(6-2)24-32-48/h7-38H,5-6H2,1-4H3.
What are the key properties of N-[4-[2-[4-[2-[4-(4-ethyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)-3-methylaniline?
N-[4-[2-[4-[2-[4-(4-ethyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)-3-methylaniline has a molecular weight of 700.97 g/mol, XLogP of 14.71, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[2-[4-(4-ethyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)-3-methylaniline is sourced from PubChem (CID 73195825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).