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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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).