4-[2-[2-(2-ethylhexoxy)-5-methoxyphenyl]ethenyl]-N,N-diphenylaniline

C35H39NO2 — CID 174488589

IUPAC4-[2-[2-(2-ethylhexoxy)-5-methoxyphenyl]ethenyl]-N,N-diphenylaniline
SMILESCCCCC(CC)COc1ccc(OC)cc1C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H39NO2/c1-4-6-13-28(5-2)27-38-35-25-24-34(37-3)26-30(35)21-18-29-19-22-33(23-20-29)36(31-14-9-7-10-15-31)32-16-11-8-12-17-32/h7-12,14-26,28H,4-6,13,27H2,1-3H3
InChIKeyXKHBJPFJHTYINE-UHFFFAOYSA-N
MW505.70 g/mol
LogP9.93
Rot. Bonds13

About 4-[2-[2-(2-ethylhexoxy)-5-methoxyphenyl]ethenyl]-N,N-diphenylaniline

4-[2-[2-(2-ethylhexoxy)-5-methoxyphenyl]ethenyl]-N,N-diphenylaniline (PubChem CID 174488589) has the molecular formula C35H39NO2 and a molecular weight of 505.70 g/mol. Its IUPAC name is 4-[2-[2-(2-ethylhexoxy)-5-methoxyphenyl]ethenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[2-[2-(2-ethylhexoxy)-5-methoxyphenyl]ethenyl]-N,N-diphenylaniline
PubChem CID174488589
Molecular FormulaC35H39NO2
Molecular Weight505.70 g/mol
Exact Mass505.30
IUPAC Name4-[2-[2-(2-ethylhexoxy)-5-methoxyphenyl]ethenyl]-N,N-diphenylaniline
SMILESCCCCC(CC)COc1ccc(OC)cc1C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H39NO2/c1-4-6-13-28(5-2)27-38-35-25-24-34(37-3)26-30(35)21-18-29-19-22-33(23-20-29)36(31-14-9-7-10-15-31)32-16-11-8-12-17-32/h7-12,14-26,28H,4-6,13,27H2,1-3H3
InChIKeyXKHBJPFJHTYINE-UHFFFAOYSA-N
XLogP9.93
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.70
LogP ≤ 59.93
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

4-[(E)-2-[4-[(E)-2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]ethenyl]-2,5-bis(2-ethylhexoxy)phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline
CID 59629901
N-[4-[2-[4-[2-[5-(3,7-dimethyloctoxy)-2-methoxy-4-(2-phenylethenyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]-N-[4-(2-ethylhexoxy)phenyl]-4-[2-[4-(2-phenylethenyl)phenyl]ethynyl]aniline
CID 58749960
1,4-bis(2-ethylhexoxy)-2,5-bis[(E)-2-(4-phenylmethoxyphenyl)ethenyl]benzene
CID 101390382
1-[(E)-2-(4-bromophenyl)ethenyl]-5-[(2S)-2-ethylhexoxy]-2-[(2R)-2-ethylhexoxy]-4-[(E)-2-phenylethenyl]benzene
CID 135816764
4-[(E)-2-[2,5-bis(2-ethylhexoxy)-4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline
CID 143348020
5-[(E)-2-[2-(2-ethylhexoxy)-5-methoxy-4-[(E)-2-(5-pentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),2(9),3(8),4,6,10,12,14(18),15-nonaenyl)ethenyl]phenyl]ethenyl]pentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),2(9),3(8),4,6,10,12,14(18),15-nonaene
CID 100987707
1-(2-ethylhexoxy)-4-(2-methoxyethenyl)benzene
CID 91115860
4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline
CID 59055952
2-[4-[(E)-2-[5-(2-ethylhexoxy)-2-methoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]-9,9-dioctylfluorene
CID 162420614
4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 166938463
2,5-dibromo-3-[(E)-2-[4-[(E)-2-[4-(2-ethylhexoxy)phenyl]ethenyl]phenyl]ethenyl]thiophene
CID 101392914
N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline
CID 14766504

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-ethylhexoxy)-5-methoxyphenyl]ethenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[2-[2-(2-ethylhexoxy)-5-methoxyphenyl]ethenyl]-N,N-diphenylaniline (CID 174488589) is 4-[2-[2-(2-ethylhexoxy)-5-methoxyphenyl]ethenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[2-[2-(2-ethylhexoxy)-5-methoxyphenyl]ethenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[2-[2-(2-ethylhexoxy)-5-methoxyphenyl]ethenyl]-N,N-diphenylaniline is CCCCC(CC)COc1ccc(OC)cc1C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[2-[2-(2-ethylhexoxy)-5-methoxyphenyl]ethenyl]-N,N-diphenylaniline?
The InChIKey is XKHBJPFJHTYINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39NO2/c1-4-6-13-28(5-2)27-38-35-25-24-34(37-3)26-30(35)21-18-29-19-22-33(23-20-29)36(31-14-9-7-10-15-31)32-16-11-8-12-17-32/h7-12,14-26,28H,4-6,13,27H2,1-3H3.
What are the key properties of 4-[2-[2-(2-ethylhexoxy)-5-methoxyphenyl]ethenyl]-N,N-diphenylaniline?
4-[2-[2-(2-ethylhexoxy)-5-methoxyphenyl]ethenyl]-N,N-diphenylaniline has a molecular weight of 505.70 g/mol, XLogP of 9.93, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-ethylhexoxy)-5-methoxyphenyl]ethenyl]-N,N-diphenylaniline is sourced from PubChem (CID 174488589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).