4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline

C35H31N — CID 58841601

IUPAC4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
SMILESCc1ccc(/C=C(\c2ccccc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C35H31N/c1-26-9-15-29(16-10-26)25-35(30-7-5-4-6-8-30)31-17-23-34(24-18-31)36(32-19-11-27(2)12-20-32)33-21-13-28(3)14-22-33/h4-25H,1-3H3/b35-25+
InChIKeyFIZUOBZRNJCGBK-KVQDIILNSA-N
MW465.64 g/mol
LogP9.67
Rot. Bonds6

About 4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline

4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline (PubChem CID 58841601) has the molecular formula C35H31N and a molecular weight of 465.64 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
PubChem CID58841601
Molecular FormulaC35H31N
Molecular Weight465.64 g/mol
Exact Mass465.25
IUPAC Name4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
SMILESCc1ccc(/C=C(\c2ccccc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C35H31N/c1-26-9-15-29(16-10-26)25-35(30-7-5-4-6-8-30)31-17-23-34(24-18-31)36(32-19-11-27(2)12-20-32)33-21-13-28(3)14-22-33/h4-25H,1-3H3/b35-25+
InChIKeyFIZUOBZRNJCGBK-KVQDIILNSA-N
XLogP9.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.64
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22899856
4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde
CID 59080163
N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[2-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159829697
N-[4-(2,2-diphenylethenyl)phenyl]-N,4-dimethylaniline
CID 14549602
N-[4-[2,2-bis(4-chlorophenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 71096918
N-[(E)-[4-(N-[4-(2,2-diphenylethenyl)phenyl]anilino)phenyl]methylideneamino]-4-methyl-N-(4-methylphenyl)aniline
CID 172928570
4-[2,2-bis(4-methylphenyl)ethenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(4-methylphenyl)naphthalen-1-amine;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-(4-methylphenyl)naphthalen-1-amine
CID 161213338
3-[4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]prop-2-enoic acid
CID 123770908
N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylbenzene;toluene
CID 144914532
1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone
CID 91417911
4-[2,2-bis(4-methylphenyl)ethenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylnaphthalen-1-amine;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 157429569

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline?
The IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline (CID 58841601) is 4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline is Cc1ccc(/C=C(\c2ccccc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline?
The InChIKey is FIZUOBZRNJCGBK-KVQDIILNSA-N. The full InChI is InChI=1S/C35H31N/c1-26-9-15-29(16-10-26)25-35(30-7-5-4-6-8-30)31-17-23-34(24-18-31)36(32-19-11-27(2)12-20-32)33-21-13-28(3)14-22-33/h4-25H,1-3H3/b35-25+.
What are the key properties of 4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline?
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline has a molecular weight of 465.64 g/mol, XLogP of 9.67, 6 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-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline is sourced from PubChem (CID 58841601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).