N-ethyl-4-[2-[4-[2-[4-[ethyl-[[4-(4-methylphenyl)phenyl]methyl]amino]phenyl]ethenyl]phenyl]ethenyl]-N-[[4-(4-methylphenyl)phenyl]methyl]aniline

C54H52N2 — CID 59639048

IUPACN-ethyl-4-[2-[4-[2-[4-[ethyl-[[4-(4-methylphenyl)phenyl]methyl]amino]phenyl]ethenyl]phenyl]ethenyl]-N-[[4-(4-methylphenyl)phenyl]methyl]aniline
SMILESCCN(Cc1ccc(-c2ccc(C)cc2)cc1)c1ccc(C=Cc2ccc(C=Cc3ccc(N(CC)Cc4ccc(-c5ccc(C)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H52N2/c1-5-55(39-47-19-31-51(32-20-47)49-27-7-41(3)8-28-49)53-35-23-45(24-36-53)17-15-43-11-13-44(14-12-43)16-18-46-25-37-54(38-26-46)56(6-2)40-48-21-33-52(34-22-48)50-29-9-42(4)10-30-50/h7-38H,5-6,39-40H2,1-4H3
InChIKeyAAGZPSPDWHTVHK-UHFFFAOYSA-N
MW729.02 g/mol
LogP14.03
Rot. Bonds14

About N-ethyl-4-[2-[4-[2-[4-[ethyl-[[4-(4-methylphenyl)phenyl]methyl]amino]phenyl]ethenyl]phenyl]ethenyl]-N-[[4-(4-methylphenyl)phenyl]methyl]aniline

N-ethyl-4-[2-[4-[2-[4-[ethyl-[[4-(4-methylphenyl)phenyl]methyl]amino]phenyl]ethenyl]phenyl]ethenyl]-N-[[4-(4-methylphenyl)phenyl]methyl]aniline (PubChem CID 59639048) has the molecular formula C54H52N2 and a molecular weight of 729.02 g/mol. Its IUPAC name is N-ethyl-4-[2-[4-[2-[4-[ethyl-[[4-(4-methylphenyl)phenyl]methyl]amino]phenyl]ethenyl]phenyl]ethenyl]-N-[[4-(4-methylphenyl)phenyl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-4-[2-[4-[2-[4-[ethyl-[[4-(4-methylphenyl)phenyl]methyl]amino]phenyl]ethenyl]phenyl]ethenyl]-N-[[4-(4-methylphenyl)phenyl]methyl]aniline
PubChem CID59639048
Molecular FormulaC54H52N2
Molecular Weight729.02 g/mol
Exact Mass728.41
IUPAC NameN-ethyl-4-[2-[4-[2-[4-[ethyl-[[4-(4-methylphenyl)phenyl]methyl]amino]phenyl]ethenyl]phenyl]ethenyl]-N-[[4-(4-methylphenyl)phenyl]methyl]aniline
SMILESCCN(Cc1ccc(-c2ccc(C)cc2)cc1)c1ccc(C=Cc2ccc(C=Cc3ccc(N(CC)Cc4ccc(-c5ccc(C)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H52N2/c1-5-55(39-47-19-31-51(32-20-47)49-27-7-41(3)8-28-49)53-35-23-45(24-36-53)17-15-43-11-13-44(14-12-43)16-18-46-25-37-54(38-26-46)56(6-2)40-48-21-33-52(34-22-48)50-29-9-42(4)10-30-50/h7-38H,5-6,39-40H2,1-4H3
InChIKeyAAGZPSPDWHTVHK-UHFFFAOYSA-N
XLogP14.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.02
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline
CID 59805421
4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline
CID 70930364
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
4-[(E)-2-(3,5-dimethylphenyl)ethenyl]-N,N-diethylaniline
CID 122629396
N-ethyl-4-[2-[4-[1-[4-[ethyl-[(4-methylphenyl)methyl]amino]phenyl]ethyl]phenyl]ethyl]-N-[(4-methylphenyl)methyl]aniline
CID 59805391
N,N-diethyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 58518835
4-[2-[3,5-bis[2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 57028933
4-diazenyl-N-ethyl-N-[(4-methylphenyl)methyl]aniline
CID 166855419
ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606
4-methyl-N-(4-methylphenyl)-N-[4-[2-[4-(4-prop-1-enylphenyl)phenyl]ethenyl]phenyl]aniline
CID 58785033
4-[(E)-2-[4-(N-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]-4-methylanilino)phenyl]ethenyl]-1-N,1-N,3-N,3-N-tetraethylbenzene-1,3-diamine
CID 20761133
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-[4-[2-[4-[ethyl-[[4-(4-methylphenyl)phenyl]methyl]amino]phenyl]ethenyl]phenyl]ethenyl]-N-[[4-(4-methylphenyl)phenyl]methyl]aniline?
The IUPAC name of N-ethyl-4-[2-[4-[2-[4-[ethyl-[[4-(4-methylphenyl)phenyl]methyl]amino]phenyl]ethenyl]phenyl]ethenyl]-N-[[4-(4-methylphenyl)phenyl]methyl]aniline (CID 59639048) is N-ethyl-4-[2-[4-[2-[4-[ethyl-[[4-(4-methylphenyl)phenyl]methyl]amino]phenyl]ethenyl]phenyl]ethenyl]-N-[[4-(4-methylphenyl)phenyl]methyl]aniline.
What is the SMILES notation for N-ethyl-4-[2-[4-[2-[4-[ethyl-[[4-(4-methylphenyl)phenyl]methyl]amino]phenyl]ethenyl]phenyl]ethenyl]-N-[[4-(4-methylphenyl)phenyl]methyl]aniline?
The canonical SMILES for N-ethyl-4-[2-[4-[2-[4-[ethyl-[[4-(4-methylphenyl)phenyl]methyl]amino]phenyl]ethenyl]phenyl]ethenyl]-N-[[4-(4-methylphenyl)phenyl]methyl]aniline is CCN(Cc1ccc(-c2ccc(C)cc2)cc1)c1ccc(C=Cc2ccc(C=Cc3ccc(N(CC)Cc4ccc(-c5ccc(C)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-ethyl-4-[2-[4-[2-[4-[ethyl-[[4-(4-methylphenyl)phenyl]methyl]amino]phenyl]ethenyl]phenyl]ethenyl]-N-[[4-(4-methylphenyl)phenyl]methyl]aniline?
The InChIKey is AAGZPSPDWHTVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H52N2/c1-5-55(39-47-19-31-51(32-20-47)49-27-7-41(3)8-28-49)53-35-23-45(24-36-53)17-15-43-11-13-44(14-12-43)16-18-46-25-37-54(38-26-46)56(6-2)40-48-21-33-52(34-22-48)50-29-9-42(4)10-30-50/h7-38H,5-6,39-40H2,1-4H3.
What are the key properties of N-ethyl-4-[2-[4-[2-[4-[ethyl-[[4-(4-methylphenyl)phenyl]methyl]amino]phenyl]ethenyl]phenyl]ethenyl]-N-[[4-(4-methylphenyl)phenyl]methyl]aniline?
N-ethyl-4-[2-[4-[2-[4-[ethyl-[[4-(4-methylphenyl)phenyl]methyl]amino]phenyl]ethenyl]phenyl]ethenyl]-N-[[4-(4-methylphenyl)phenyl]methyl]aniline has a molecular weight of 729.02 g/mol, XLogP of 14.03, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-[4-[2-[4-[ethyl-[[4-(4-methylphenyl)phenyl]methyl]amino]phenyl]ethenyl]phenyl]ethenyl]-N-[[4-(4-methylphenyl)phenyl]methyl]aniline is sourced from PubChem (CID 59639048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).