4-methyl-N-(4-methylphenyl)-N-[(3E,5E)-6-methyl-7-(4-phenylphenyl)octa-1,3,5-trien-3-yl]aniline

C35H35N — CID 118242606

IUPAC4-methyl-N-(4-methylphenyl)-N-[(3E,5E)-6-methyl-7-(4-phenylphenyl)octa-1,3,5-trien-3-yl]aniline
SMILESC=C/C(=C\C=C(/C)C(C)c1ccc(-c2ccccc2)cc1)N(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C35H35N/c1-6-33(36(34-21-12-26(2)13-22-34)35-23-14-27(3)15-24-35)25-16-28(4)29(5)30-17-19-32(20-18-30)31-10-8-7-9-11-31/h6-25,29H,1H2,2-5H3/b28-16+,33-25+
InChIKeyLQOVEBSBHWIVJE-GVOPETASSA-N
MW469.67 g/mol
LogP9.93
Rot. Bonds8

About 4-methyl-N-(4-methylphenyl)-N-[(3E,5E)-6-methyl-7-(4-phenylphenyl)octa-1,3,5-trien-3-yl]aniline

4-methyl-N-(4-methylphenyl)-N-[(3E,5E)-6-methyl-7-(4-phenylphenyl)octa-1,3,5-trien-3-yl]aniline (PubChem CID 118242606) has the molecular formula C35H35N and a molecular weight of 469.67 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-N-[(3E,5E)-6-methyl-7-(4-phenylphenyl)octa-1,3,5-trien-3-yl]aniline.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)-N-[(3E,5E)-6-methyl-7-(4-phenylphenyl)octa-1,3,5-trien-3-yl]aniline
PubChem CID118242606
Molecular FormulaC35H35N
Molecular Weight469.67 g/mol
Exact Mass469.28
IUPAC Name4-methyl-N-(4-methylphenyl)-N-[(3E,5E)-6-methyl-7-(4-phenylphenyl)octa-1,3,5-trien-3-yl]aniline
SMILESC=C/C(=C\C=C(/C)C(C)c1ccc(-c2ccccc2)cc1)N(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C35H35N/c1-6-33(36(34-21-12-26(2)13-22-34)35-23-14-27(3)15-24-35)25-16-28(4)29(5)30-17-19-32(20-18-30)31-10-8-7-9-11-31/h6-25,29H,1H2,2-5H3/b28-16+,33-25+
InChIKeyLQOVEBSBHWIVJE-GVOPETASSA-N
XLogP9.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.67
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(N-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-phenylaniline
CID 166937509
1-N,1-N-diphenyl-4-N-[(2E,4E)-5-(N-[4-(N-phenylanilino)phenyl]anilino)hepta-2,4,6-trien-2-yl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 130205076
1-[(3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-yl]-4-methylbenzene
CID 169209291
4-[4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)phenyl]-N,N-diphenylaniline
CID 144794332
N-[(2E,4E)-6-(4-cyclohexa-1,3-dien-5-yn-1-ylphenyl)-5-methylhepta-2,4-dien-2-yl]-4-methyl-N-(4-methylphenyl)aniline
CID 137443861
4-(4-bromophenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline
CID 145273368
4-methyl-N-(4-methylphenyl)-N-[1-(4-phenylphenyl)ethyl]aniline
CID 173154873
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,4-diphenylaniline
CID 88961504
1-methyl-4-[(E)-3-methylpent-3-en-2-yl]benzene
CID 166116462
4-[3-[4-[N-[(3E,5E)-6-[3-(4-formylphenoxy)phenyl]hepta-1,3,5-trien-3-yl]-4-[3-(4-methylphenoxy)phenyl]anilino]phenyl]phenoxy]benzaldehyde
CID 89131997
3-(4-phenylphenyl)butan-2-one
CID 66468835
N-[(3E)-hexa-1,3,5-trien-3-yl]-N-[(2E)-penta-2,4-dien-2-yl]-4-[(2E,4E)-5-(N-phenylanilino)hepta-2,4,6-trien-2-yl]aniline
CID 130421401

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[(3E,5E)-6-methyl-7-(4-phenylphenyl)octa-1,3,5-trien-3-yl]aniline?
The IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[(3E,5E)-6-methyl-7-(4-phenylphenyl)octa-1,3,5-trien-3-yl]aniline (CID 118242606) is 4-methyl-N-(4-methylphenyl)-N-[(3E,5E)-6-methyl-7-(4-phenylphenyl)octa-1,3,5-trien-3-yl]aniline.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)-N-[(3E,5E)-6-methyl-7-(4-phenylphenyl)octa-1,3,5-trien-3-yl]aniline?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)-N-[(3E,5E)-6-methyl-7-(4-phenylphenyl)octa-1,3,5-trien-3-yl]aniline is C=C/C(=C\C=C(/C)C(C)c1ccc(-c2ccccc2)cc1)N(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)-N-[(3E,5E)-6-methyl-7-(4-phenylphenyl)octa-1,3,5-trien-3-yl]aniline?
The InChIKey is LQOVEBSBHWIVJE-GVOPETASSA-N. The full InChI is InChI=1S/C35H35N/c1-6-33(36(34-21-12-26(2)13-22-34)35-23-14-27(3)15-24-35)25-16-28(4)29(5)30-17-19-32(20-18-30)31-10-8-7-9-11-31/h6-25,29H,1H2,2-5H3/b28-16+,33-25+.
What are the key properties of 4-methyl-N-(4-methylphenyl)-N-[(3E,5E)-6-methyl-7-(4-phenylphenyl)octa-1,3,5-trien-3-yl]aniline?
4-methyl-N-(4-methylphenyl)-N-[(3E,5E)-6-methyl-7-(4-phenylphenyl)octa-1,3,5-trien-3-yl]aniline has a molecular weight of 469.67 g/mol, XLogP of 9.93, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylphenyl)-N-[(3E,5E)-6-methyl-7-(4-phenylphenyl)octa-1,3,5-trien-3-yl]aniline is sourced from PubChem (CID 118242606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).