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

C29H25N — CID 67688103

IUPACN-(4-methylphenyl)-2-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
SMILESCc1ccc(Nc2ccccc2/C=C/c2ccccc2/C=C/c2ccccc2)cc1
InChIInChI=1S/C29H25N/c1-23-15-21-28(22-16-23)30-29-14-8-7-13-27(29)20-19-26-12-6-5-11-25(26)18-17-24-9-3-2-4-10-24/h2-22,30H,1H3/b18-17+,20-19+
InChIKeyRKYVYOMEUCYYHE-GHPQSQKNSA-N
MW387.53 g/mol
LogP8.08
Rot. Bonds6

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

N-(4-methylphenyl)-2-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline (PubChem CID 67688103) has the molecular formula C29H25N and a molecular weight of 387.53 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
PubChem CID67688103
Molecular FormulaC29H25N
Molecular Weight387.53 g/mol
Exact Mass387.20
IUPAC NameN-(4-methylphenyl)-2-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
SMILESCc1ccc(Nc2ccccc2/C=C/c2ccccc2/C=C/c2ccccc2)cc1
InChIInChI=1S/C29H25N/c1-23-15-21-28(22-16-23)30-29-14-8-7-13-27(29)20-19-26-12-6-5-11-25(26)18-17-24-9-3-2-4-10-24/h2-22,30H,1H3/b18-17+,20-19+
InChIKeyRKYVYOMEUCYYHE-GHPQSQKNSA-N
XLogP8.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 58.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline?
The IUPAC name of N-(4-methylphenyl)-2-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline (CID 67688103) is N-(4-methylphenyl)-2-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline.
What is the SMILES notation for N-(4-methylphenyl)-2-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline?
The canonical SMILES for N-(4-methylphenyl)-2-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline is Cc1ccc(Nc2ccccc2/C=C/c2ccccc2/C=C/c2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline?
The InChIKey is RKYVYOMEUCYYHE-GHPQSQKNSA-N. The full InChI is InChI=1S/C29H25N/c1-23-15-21-28(22-16-23)30-29-14-8-7-13-27(29)20-19-26-12-6-5-11-25(26)18-17-24-9-3-2-4-10-24/h2-22,30H,1H3/b18-17+,20-19+.
What are the key properties of N-(4-methylphenyl)-2-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline?
N-(4-methylphenyl)-2-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline has a molecular weight of 387.53 g/mol, XLogP of 8.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline is sourced from PubChem (CID 67688103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).