2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline

C60H56N2O — CID 89417438

IUPAC2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline
SMILESCCc1cccc(C)c1N(c1ccc(/C=C/c2ccc(C)cc2)cc1)c1ccc(-c2ccc(N(c3ccc(/C=C/c4ccc(OC)cc4)cc3)c3c(C)cccc3CC)cc2)cc1
InChIInChI=1S/C60H56N2O/c1-7-50-13-9-11-44(4)59(50)61(54-33-23-47(24-34-54)20-19-46-17-15-43(3)16-18-46)56-37-29-52(30-38-56)53-31-39-57(40-32-53)62(60-45(5)12-10-14-51(60)8-2)55-35-25-48(26-36-55)21-22-49-27-41-58(63-6)42-28-49/h9-42H,7-8H2,1-6H3/b20-19+,22-21+
InChIKeyGSDBLJATKVTMEZ-DKHHWMATSA-N
MW821.12 g/mol
LogP16.69
Rot. Bonds14

About 2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline

2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline (PubChem CID 89417438) has the molecular formula C60H56N2O and a molecular weight of 821.12 g/mol. Its IUPAC name is 2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline.

Molecular Properties

Compound Name2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline
PubChem CID89417438
Molecular FormulaC60H56N2O
Molecular Weight821.12 g/mol
Exact Mass820.44
IUPAC Name2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline
SMILESCCc1cccc(C)c1N(c1ccc(/C=C/c2ccc(C)cc2)cc1)c1ccc(-c2ccc(N(c3ccc(/C=C/c4ccc(OC)cc4)cc3)c3c(C)cccc3CC)cc2)cc1
InChIInChI=1S/C60H56N2O/c1-7-50-13-9-11-44(4)59(50)61(54-33-23-47(24-34-54)20-19-46-17-15-43(3)16-18-46)56-37-29-52(30-38-56)53-31-39-57(40-32-53)62(60-45(5)12-10-14-51(60)8-2)55-35-25-48(26-36-55)21-22-49-27-41-58(63-6)42-28-49/h9-42H,7-8H2,1-6H3/b20-19+,22-21+
InChIKeyGSDBLJATKVTMEZ-DKHHWMATSA-N
XLogP16.69
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.12
LogP ≤ 516.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-[4-[4-[2-[4-(N-(2-ethyl-6-methylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
CID 58177556
2-ethyl-N-[4-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]phenyl]-6-methyl-N-phenylaniline
CID 22900130
N-[4-[(E)-2-[4-[(E)-2-[4-(N-(2,4-dimethylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-[N-(2,4-dimethylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]phenyl]phenyl]-2,4-dimethyl-N-[4-[2-(4-methylphenyl)ethyl]phenyl]aniline;2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-phenylethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-phenylethenyl]phenyl]aniline
CID 158930440
4-[2-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]ethenyl]benzonitrile
CID 70163477
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
N-[4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]ethenyl]-N-(2-ethyl-6-methylphenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[(E)-2-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]-2-ethyl-6-methylaniline
CID 155305754
N-[4-[2-[4-(diethoxyphosphorylmethyl)phenyl]ethenyl]phenyl]-2-ethyl-6-methyl-N-phenylaniline
CID 89327832
N-[4-[2-[4-[2-[4-(N-(2,4-dimethylphenyl)-4-methoxyanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethyl-N-(4-methylphenyl)aniline
CID 58177550
N-[4-[(E)-2-[4-[(E)-2-[4-(N-(2,4-dimethylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-[N-(2,4-dimethylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]phenyl]phenyl]-2,4-dimethyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;N-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline;2-ethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-6-methyl-N-phenylaniline;2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-phenylethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-phenylethenyl]phenyl]aniline;4-methyl-N-[4-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-N-phenylaniline
CID 160974207
4-[4-(4-methoxyphenyl)buta-1,3-dienyl]-N-[4-[4-(N-[4-[4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59103440
4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline
CID 59805421
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline?
The IUPAC name of 2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline (CID 89417438) is 2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline.
What is the SMILES notation for 2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline?
The canonical SMILES for 2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline is CCc1cccc(C)c1N(c1ccc(/C=C/c2ccc(C)cc2)cc1)c1ccc(-c2ccc(N(c3ccc(/C=C/c4ccc(OC)cc4)cc3)c3c(C)cccc3CC)cc2)cc1.
What is the InChIKey of 2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline?
The InChIKey is GSDBLJATKVTMEZ-DKHHWMATSA-N. The full InChI is InChI=1S/C60H56N2O/c1-7-50-13-9-11-44(4)59(50)61(54-33-23-47(24-34-54)20-19-46-17-15-43(3)16-18-46)56-37-29-52(30-38-56)53-31-39-57(40-32-53)62(60-45(5)12-10-14-51(60)8-2)55-35-25-48(26-36-55)21-22-49-27-41-58(63-6)42-28-49/h9-42H,7-8H2,1-6H3/b20-19+,22-21+.
What are the key properties of 2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline?
2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline has a molecular weight of 821.12 g/mol, XLogP of 16.69, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline is sourced from PubChem (CID 89417438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).