4-[2-[4-[2-(4-aminophenyl)ethenyl]naphthalen-1-yl]ethenyl]aniline

C26H22N2 — CID 54470834

IUPAC4-[2-[4-[2-(4-aminophenyl)ethenyl]naphthalen-1-yl]ethenyl]aniline
SMILESNc1ccc(C=Cc2ccc(C=Cc3ccc(N)cc3)c3ccccc23)cc1
InChIInChI=1S/C26H22N2/c27-23-15-7-19(8-16-23)5-11-21-13-14-22(26-4-2-1-3-25(21)26)12-6-20-9-17-24(28)18-10-20/h1-18H,27-28H2
InChIKeyXIGCDEJRPRHFSI-UHFFFAOYSA-N
MW362.48 g/mol
LogP6.34
Rot. Bonds4

About 4-[2-[4-[2-(4-aminophenyl)ethenyl]naphthalen-1-yl]ethenyl]aniline

4-[2-[4-[2-(4-aminophenyl)ethenyl]naphthalen-1-yl]ethenyl]aniline (PubChem CID 54470834) has the molecular formula C26H22N2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-[2-[4-[2-(4-aminophenyl)ethenyl]naphthalen-1-yl]ethenyl]aniline.

Molecular Properties

Compound Name4-[2-[4-[2-(4-aminophenyl)ethenyl]naphthalen-1-yl]ethenyl]aniline
PubChem CID54470834
Molecular FormulaC26H22N2
Molecular Weight362.48 g/mol
Exact Mass362.18
IUPAC Name4-[2-[4-[2-(4-aminophenyl)ethenyl]naphthalen-1-yl]ethenyl]aniline
SMILESNc1ccc(C=Cc2ccc(C=Cc3ccc(N)cc3)c3ccccc23)cc1
InChIInChI=1S/C26H22N2/c27-23-15-7-19(8-16-23)5-11-21-13-14-22(26-4-2-1-3-25(21)26)12-6-20-9-17-24(28)18-10-20/h1-18H,27-28H2
InChIKeyXIGCDEJRPRHFSI-UHFFFAOYSA-N
XLogP6.34
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(4-aminophenyl)ethenyl]naphthalen-1-yl]ethenyl]aniline?
The IUPAC name of 4-[2-[4-[2-(4-aminophenyl)ethenyl]naphthalen-1-yl]ethenyl]aniline (CID 54470834) is 4-[2-[4-[2-(4-aminophenyl)ethenyl]naphthalen-1-yl]ethenyl]aniline.
What is the SMILES notation for 4-[2-[4-[2-(4-aminophenyl)ethenyl]naphthalen-1-yl]ethenyl]aniline?
The canonical SMILES for 4-[2-[4-[2-(4-aminophenyl)ethenyl]naphthalen-1-yl]ethenyl]aniline is Nc1ccc(C=Cc2ccc(C=Cc3ccc(N)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[2-[4-[2-(4-aminophenyl)ethenyl]naphthalen-1-yl]ethenyl]aniline?
The InChIKey is XIGCDEJRPRHFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2/c27-23-15-7-19(8-16-23)5-11-21-13-14-22(26-4-2-1-3-25(21)26)12-6-20-9-17-24(28)18-10-20/h1-18H,27-28H2.
What are the key properties of 4-[2-[4-[2-(4-aminophenyl)ethenyl]naphthalen-1-yl]ethenyl]aniline?
4-[2-[4-[2-(4-aminophenyl)ethenyl]naphthalen-1-yl]ethenyl]aniline has a molecular weight of 362.48 g/mol, XLogP of 6.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(4-aminophenyl)ethenyl]naphthalen-1-yl]ethenyl]aniline is sourced from PubChem (CID 54470834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).