2-(4-methoxyphenyl)-6-methyl-N-phenyl-N-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]aniline

C32H27NOS — CID 20603520

IUPAC2-(4-methoxyphenyl)-6-methyl-N-phenyl-N-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]aniline
SMILESCOc1ccc(-c2cccc(C)c2N(c2ccccc2)c2ccc(/C=C/c3ccsc3)cc2)cc1
InChIInChI=1S/C32H27NOS/c1-24-7-6-10-31(27-15-19-30(34-2)20-16-27)32(24)33(28-8-4-3-5-9-28)29-17-13-25(14-18-29)11-12-26-21-22-35-23-26/h3-23H,1-2H3/b12-11+
InChIKeyRYRKZDKTIQJEJH-VAWYXSNFSA-N
MW473.64 g/mol
LogP9.37
Rot. Bonds7

About 2-(4-methoxyphenyl)-6-methyl-N-phenyl-N-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]aniline

2-(4-methoxyphenyl)-6-methyl-N-phenyl-N-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]aniline (PubChem CID 20603520) has the molecular formula C32H27NOS and a molecular weight of 473.64 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-methyl-N-phenyl-N-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]aniline.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-methyl-N-phenyl-N-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]aniline
PubChem CID20603520
Molecular FormulaC32H27NOS
Molecular Weight473.64 g/mol
Exact Mass473.18
IUPAC Name2-(4-methoxyphenyl)-6-methyl-N-phenyl-N-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]aniline
SMILESCOc1ccc(-c2cccc(C)c2N(c2ccccc2)c2ccc(/C=C/c3ccsc3)cc2)cc1
InChIInChI=1S/C32H27NOS/c1-24-7-6-10-31(27-15-19-30(34-2)20-16-27)32(24)33(28-8-4-3-5-9-28)29-17-13-25(14-18-29)11-12-26-21-22-35-23-26/h3-23H,1-2H3/b12-11+
InChIKeyRYRKZDKTIQJEJH-VAWYXSNFSA-N
XLogP9.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.64
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-methyl-N-phenyl-N-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]aniline?
The IUPAC name of 2-(4-methoxyphenyl)-6-methyl-N-phenyl-N-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]aniline (CID 20603520) is 2-(4-methoxyphenyl)-6-methyl-N-phenyl-N-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]aniline.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-methyl-N-phenyl-N-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]aniline?
The canonical SMILES for 2-(4-methoxyphenyl)-6-methyl-N-phenyl-N-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]aniline is COc1ccc(-c2cccc(C)c2N(c2ccccc2)c2ccc(/C=C/c3ccsc3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-methyl-N-phenyl-N-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]aniline?
The InChIKey is RYRKZDKTIQJEJH-VAWYXSNFSA-N. The full InChI is InChI=1S/C32H27NOS/c1-24-7-6-10-31(27-15-19-30(34-2)20-16-27)32(24)33(28-8-4-3-5-9-28)29-17-13-25(14-18-29)11-12-26-21-22-35-23-26/h3-23H,1-2H3/b12-11+.
What are the key properties of 2-(4-methoxyphenyl)-6-methyl-N-phenyl-N-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]aniline?
2-(4-methoxyphenyl)-6-methyl-N-phenyl-N-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]aniline has a molecular weight of 473.64 g/mol, XLogP of 9.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-methyl-N-phenyl-N-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]aniline is sourced from PubChem (CID 20603520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).