4-methyl-N-(4-methylphenyl)-N-(2-phenyl-1-quinolin-2-ylethenyl)aniline

C31H26N2 — CID 67702981

IUPAC4-methyl-N-(4-methylphenyl)-N-(2-phenyl-1-quinolin-2-ylethenyl)aniline
SMILESCc1ccc(N(C(=Cc2ccccc2)c2ccc3ccccc3n2)c2ccc(C)cc2)cc1
InChIInChI=1S/C31H26N2/c1-23-12-17-27(18-13-23)33(28-19-14-24(2)15-20-28)31(22-25-8-4-3-5-9-25)30-21-16-26-10-6-7-11-29(26)32-30/h3-22H,1-2H3
InChIKeyQMSOZXKJMGJVAY-UHFFFAOYSA-N
MW426.56 g/mol
LogP8.19
Rot. Bonds5

About 4-methyl-N-(4-methylphenyl)-N-(2-phenyl-1-quinolin-2-ylethenyl)aniline

4-methyl-N-(4-methylphenyl)-N-(2-phenyl-1-quinolin-2-ylethenyl)aniline (PubChem CID 67702981) has the molecular formula C31H26N2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-N-(2-phenyl-1-quinolin-2-ylethenyl)aniline.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)-N-(2-phenyl-1-quinolin-2-ylethenyl)aniline
PubChem CID67702981
Molecular FormulaC31H26N2
Molecular Weight426.56 g/mol
Exact Mass426.21
IUPAC Name4-methyl-N-(4-methylphenyl)-N-(2-phenyl-1-quinolin-2-ylethenyl)aniline
SMILESCc1ccc(N(C(=Cc2ccccc2)c2ccc3ccccc3n2)c2ccc(C)cc2)cc1
InChIInChI=1S/C31H26N2/c1-23-12-17-27(18-13-23)33(28-19-14-24(2)15-20-28)31(22-25-8-4-3-5-9-25)30-21-16-26-10-6-7-11-29(26)32-30/h3-22H,1-2H3
InChIKeyQMSOZXKJMGJVAY-UHFFFAOYSA-N
XLogP8.19
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)-N-(2-phenyl-1-quinolin-2-ylethenyl)aniline?
The IUPAC name of 4-methyl-N-(4-methylphenyl)-N-(2-phenyl-1-quinolin-2-ylethenyl)aniline (CID 67702981) is 4-methyl-N-(4-methylphenyl)-N-(2-phenyl-1-quinolin-2-ylethenyl)aniline.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)-N-(2-phenyl-1-quinolin-2-ylethenyl)aniline?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)-N-(2-phenyl-1-quinolin-2-ylethenyl)aniline is Cc1ccc(N(C(=Cc2ccccc2)c2ccc3ccccc3n2)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)-N-(2-phenyl-1-quinolin-2-ylethenyl)aniline?
The InChIKey is QMSOZXKJMGJVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2/c1-23-12-17-27(18-13-23)33(28-19-14-24(2)15-20-28)31(22-25-8-4-3-5-9-25)30-21-16-26-10-6-7-11-29(26)32-30/h3-22H,1-2H3.
What are the key properties of 4-methyl-N-(4-methylphenyl)-N-(2-phenyl-1-quinolin-2-ylethenyl)aniline?
4-methyl-N-(4-methylphenyl)-N-(2-phenyl-1-quinolin-2-ylethenyl)aniline has a molecular weight of 426.56 g/mol, XLogP of 8.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylphenyl)-N-(2-phenyl-1-quinolin-2-ylethenyl)aniline is sourced from PubChem (CID 67702981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).