3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline

C52H48N2 — CID 22899863

IUPAC3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3cccc(/C=C/c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4C)c3)c(C)c2)cc1
InChIInChI=1S/C52H48N2/c1-37-10-24-47(25-11-37)53(48-26-12-38(2)13-27-48)51-32-22-45(41(5)34-51)20-18-43-8-7-9-44(36-43)19-21-46-23-33-52(35-42(46)6)54(49-28-14-39(3)15-29-49)50-30-16-40(4)17-31-50/h7-36H,1-6H3/b20-18+,21-19+
InChIKeyUJJDNGCJUCCEJN-FRCMOREXSA-N
MW700.97 g/mol
LogP14.82
Rot. Bonds10

About 3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline

3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline (PubChem CID 22899863) has the molecular formula C52H48N2 and a molecular weight of 700.97 g/mol. Its IUPAC name is 3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline.

Molecular Properties

Compound Name3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline
PubChem CID22899863
Molecular FormulaC52H48N2
Molecular Weight700.97 g/mol
Exact Mass700.38
IUPAC Name3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3cccc(/C=C/c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4C)c3)c(C)c2)cc1
InChIInChI=1S/C52H48N2/c1-37-10-24-47(25-11-37)53(48-26-12-38(2)13-27-48)51-32-22-45(41(5)34-51)20-18-43-8-7-9-44(36-43)19-21-46-23-33-52(35-42(46)6)54(49-28-14-39(3)15-29-49)50-30-16-40(4)17-31-50/h7-36H,1-6H3/b20-18+,21-19+
InChIKeyUJJDNGCJUCCEJN-FRCMOREXSA-N
XLogP14.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.97
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline with MolForge

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Related Compounds

N,N'-Di(2-naphthyl)-p-phenylenediamine
CID 7142
Xylidine
CID 56846457
N,N'-Diphenylbenzidine
CID 68280
Benzenamine, 4,4',4''-methylidynetris[N,N-diethyl-3-methyl-
CID 78234
[1,1'-Biphenyl]-4,4'-diamine, N4,N4'-bis(3-methylphenyl)-N4,N4'-diphenyl-
CID 103315
N-(4-Biphenylyl)-2-naphthylamine
CID 236881
N,N-dimethylpyren-1-amine
CID 145792
Benzenamine, 4,4',4'',4'''-(1,2-ethenediylidene)tetrakis[N,N-dimethyl-
CID 96274
N,N-Diphenyl-2-naphthylamine
CID 235845
N,N,N',N'-Tetrakis(4-amino-phenyl)benzidine
CID 5130174
N,N,N',N'-Tetraphenylbenzidine
CID 84981
Benzenamine, N-(4-(bis(4-((3-methylphenyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-methyl-
CID 171636

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline?
The IUPAC name of 3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline (CID 22899863) is 3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline.
What is the SMILES notation for 3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline?
The canonical SMILES for 3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3cccc(/C=C/c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4C)c3)c(C)c2)cc1.
What is the InChIKey of 3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline?
The InChIKey is UJJDNGCJUCCEJN-FRCMOREXSA-N. The full InChI is InChI=1S/C52H48N2/c1-37-10-24-47(25-11-37)53(48-26-12-38(2)13-27-48)51-32-22-45(41(5)34-51)20-18-43-8-7-9-44(36-43)19-21-46-23-33-52(35-42(46)6)54(49-28-14-39(3)15-29-49)50-30-16-40(4)17-31-50/h7-36H,1-6H3/b20-18+,21-19+.
What are the key properties of 3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline?
3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline has a molecular weight of 700.97 g/mol, XLogP of 14.82, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline is sourced from PubChem (CID 22899863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).