4-[4-(4-methoxyanilino)phenyl]-N-(5-methoxyhexa-2,4-dien-2-yl)-N-(4-methoxyphenyl)-2-methylaniline

C34H36N2O3 — CID 91379209

IUPAC4-[4-(4-methoxyanilino)phenyl]-N-(5-methoxyhexa-2,4-dien-2-yl)-N-(4-methoxyphenyl)-2-methylaniline
SMILESCOC(C)=CC=C(C)N(c1ccc(OC)cc1)c1ccc(-c2ccc(Nc3ccc(OC)cc3)cc2)cc1C
InChIInChI=1S/C34H36N2O3/c1-24-23-28(27-9-12-29(13-10-27)35-30-14-18-32(38-5)19-15-30)11-22-34(24)36(25(2)7-8-26(3)37-4)31-16-20-33(39-6)21-17-31/h7-23,35H,1-6H3
InChIKeySMRWOVZGZOMJJY-UHFFFAOYSA-N
MW520.67 g/mol
LogP9.01
Rot. Bonds10

About 4-[4-(4-methoxyanilino)phenyl]-N-(5-methoxyhexa-2,4-dien-2-yl)-N-(4-methoxyphenyl)-2-methylaniline

4-[4-(4-methoxyanilino)phenyl]-N-(5-methoxyhexa-2,4-dien-2-yl)-N-(4-methoxyphenyl)-2-methylaniline (PubChem CID 91379209) has the molecular formula C34H36N2O3 and a molecular weight of 520.67 g/mol. Its IUPAC name is 4-[4-(4-methoxyanilino)phenyl]-N-(5-methoxyhexa-2,4-dien-2-yl)-N-(4-methoxyphenyl)-2-methylaniline.

Molecular Properties

Compound Name4-[4-(4-methoxyanilino)phenyl]-N-(5-methoxyhexa-2,4-dien-2-yl)-N-(4-methoxyphenyl)-2-methylaniline
PubChem CID91379209
Molecular FormulaC34H36N2O3
Molecular Weight520.67 g/mol
Exact Mass520.27
IUPAC Name4-[4-(4-methoxyanilino)phenyl]-N-(5-methoxyhexa-2,4-dien-2-yl)-N-(4-methoxyphenyl)-2-methylaniline
SMILESCOC(C)=CC=C(C)N(c1ccc(OC)cc1)c1ccc(-c2ccc(Nc3ccc(OC)cc3)cc2)cc1C
InChIInChI=1S/C34H36N2O3/c1-24-23-28(27-9-12-29(13-10-27)35-30-14-18-32(38-5)19-15-30)11-22-34(24)36(25(2)7-8-26(3)37-4)31-16-20-33(39-6)21-17-31/h7-23,35H,1-6H3
InChIKeySMRWOVZGZOMJJY-UHFFFAOYSA-N
XLogP9.01
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.67
LogP ≤ 59.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-[N,4-bis(4-methoxyphenyl)anilino]phenyl]phenyl]-4-[4-[4-[4-[N-(5-methoxyhepta-2,4,6-trien-2-yl)-4-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)aniline
CID 123996172
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
5-(4-methoxyphenyl)-1,2,3-trimethylbenzene
CID 132540116
4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43436240
1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 55130746
N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline
CID 101376712
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
4-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-5-methylcyclohexa-1,3-dien-1-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-2-methylaniline
CID 121285722
N,N-bis(4-methoxyphenyl)-2-oxopropanamide;ethane
CID 143471525
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
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146304253
N-[4-(2-ethylhexoxy)phenyl]-N-[4-[(2E,4E)-5-[N-[4-(2-ethylhexoxy)phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]hexa-2,4-dien-2-yl]phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]aniline
CID 163422247

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyanilino)phenyl]-N-(5-methoxyhexa-2,4-dien-2-yl)-N-(4-methoxyphenyl)-2-methylaniline?
The IUPAC name of 4-[4-(4-methoxyanilino)phenyl]-N-(5-methoxyhexa-2,4-dien-2-yl)-N-(4-methoxyphenyl)-2-methylaniline (CID 91379209) is 4-[4-(4-methoxyanilino)phenyl]-N-(5-methoxyhexa-2,4-dien-2-yl)-N-(4-methoxyphenyl)-2-methylaniline.
What is the SMILES notation for 4-[4-(4-methoxyanilino)phenyl]-N-(5-methoxyhexa-2,4-dien-2-yl)-N-(4-methoxyphenyl)-2-methylaniline?
The canonical SMILES for 4-[4-(4-methoxyanilino)phenyl]-N-(5-methoxyhexa-2,4-dien-2-yl)-N-(4-methoxyphenyl)-2-methylaniline is COC(C)=CC=C(C)N(c1ccc(OC)cc1)c1ccc(-c2ccc(Nc3ccc(OC)cc3)cc2)cc1C.
What is the InChIKey of 4-[4-(4-methoxyanilino)phenyl]-N-(5-methoxyhexa-2,4-dien-2-yl)-N-(4-methoxyphenyl)-2-methylaniline?
The InChIKey is SMRWOVZGZOMJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O3/c1-24-23-28(27-9-12-29(13-10-27)35-30-14-18-32(38-5)19-15-30)11-22-34(24)36(25(2)7-8-26(3)37-4)31-16-20-33(39-6)21-17-31/h7-23,35H,1-6H3.
What are the key properties of 4-[4-(4-methoxyanilino)phenyl]-N-(5-methoxyhexa-2,4-dien-2-yl)-N-(4-methoxyphenyl)-2-methylaniline?
4-[4-(4-methoxyanilino)phenyl]-N-(5-methoxyhexa-2,4-dien-2-yl)-N-(4-methoxyphenyl)-2-methylaniline has a molecular weight of 520.67 g/mol, XLogP of 9.01, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyanilino)phenyl]-N-(5-methoxyhexa-2,4-dien-2-yl)-N-(4-methoxyphenyl)-2-methylaniline is sourced from PubChem (CID 91379209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).