4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline

C36H29Cl2NO2 — CID 59055952

IUPAC4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline
SMILESCOc1ccc(C=Cc2cc(Cl)c(C=Cc3ccc(N(c4ccccc4)c4ccc(OC)cc4)cc3)cc2Cl)cc1
InChIInChI=1S/C36H29Cl2NO2/c1-40-33-20-12-27(13-21-33)9-15-29-25-35(37)28(24-36(29)38)14-8-26-10-16-31(17-11-26)39(30-6-4-3-5-7-30)32-18-22-34(41-2)23-19-32/h3-25H,1-2H3
InChIKeyCRRUVMDVOABBGY-UHFFFAOYSA-N
MW578.54 g/mol
LogP10.82
Rot. Bonds9

About 4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline

4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline (PubChem CID 59055952) has the molecular formula C36H29Cl2NO2 and a molecular weight of 578.54 g/mol. Its IUPAC name is 4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline.

Molecular Properties

Compound Name4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline
PubChem CID59055952
Molecular FormulaC36H29Cl2NO2
Molecular Weight578.54 g/mol
Exact Mass577.16
IUPAC Name4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline
SMILESCOc1ccc(C=Cc2cc(Cl)c(C=Cc3ccc(N(c4ccccc4)c4ccc(OC)cc4)cc3)cc2Cl)cc1
InChIInChI=1S/C36H29Cl2NO2/c1-40-33-20-12-27(13-21-33)9-15-29-25-35(37)28(24-36(29)38)14-8-26-10-16-31(17-11-26)39(30-6-4-3-5-7-30)32-18-22-34(41-2)23-19-32/h3-25H,1-2H3
InChIKeyCRRUVMDVOABBGY-UHFFFAOYSA-N
XLogP10.82
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.54
LogP ≤ 510.82
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-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline
CID 14766504
N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 155888504
2,6-bis[(E)-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile
CID 11297254
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
N-[4-(2,2-diphenylethenyl)phenyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-N-phenylaniline
CID 59935129
N-[4-[(Z)-2-[6-[(Z)-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-4-methyl-N-phenylaniline
CID 59905387
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
4-[(E)-2-[9,10-bis(4-methoxyphenyl)-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline
CID 88888023
4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 166938463
4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde
CID 22973932
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline?
The IUPAC name of 4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline (CID 59055952) is 4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline.
What is the SMILES notation for 4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline?
The canonical SMILES for 4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline is COc1ccc(C=Cc2cc(Cl)c(C=Cc3ccc(N(c4ccccc4)c4ccc(OC)cc4)cc3)cc2Cl)cc1.
What is the InChIKey of 4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline?
The InChIKey is CRRUVMDVOABBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29Cl2NO2/c1-40-33-20-12-27(13-21-33)9-15-29-25-35(37)28(24-36(29)38)14-8-26-10-16-31(17-11-26)39(30-6-4-3-5-7-30)32-18-22-34(41-2)23-19-32/h3-25H,1-2H3.
What are the key properties of 4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline?
4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline has a molecular weight of 578.54 g/mol, XLogP of 10.82, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline is sourced from PubChem (CID 59055952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).