1-[1-(1-amino-2-phenylethenyl)naphthalen-2-yl]-2-phenylethenamine

C26H22N2 — CID 66890063

IUPAC1-[1-(1-amino-2-phenylethenyl)naphthalen-2-yl]-2-phenylethenamine
SMILESNC(=Cc1ccccc1)c1ccc2ccccc2c1C(N)=Cc1ccccc1
InChIInChI=1S/C26H22N2/c27-24(17-19-9-3-1-4-10-19)23-16-15-21-13-7-8-14-22(21)26(23)25(28)18-20-11-5-2-6-12-20/h1-18H,27-28H2
InChIKeyLJXOMGDFPWQTTO-UHFFFAOYSA-N
MW362.48 g/mol
LogP5.75
Rot. Bonds4

About 1-[1-(1-amino-2-phenylethenyl)naphthalen-2-yl]-2-phenylethenamine

1-[1-(1-amino-2-phenylethenyl)naphthalen-2-yl]-2-phenylethenamine (PubChem CID 66890063) has the molecular formula C26H22N2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-[1-(1-amino-2-phenylethenyl)naphthalen-2-yl]-2-phenylethenamine.

Molecular Properties

Compound Name1-[1-(1-amino-2-phenylethenyl)naphthalen-2-yl]-2-phenylethenamine
PubChem CID66890063
Molecular FormulaC26H22N2
Molecular Weight362.48 g/mol
Exact Mass362.18
IUPAC Name1-[1-(1-amino-2-phenylethenyl)naphthalen-2-yl]-2-phenylethenamine
SMILESNC(=Cc1ccccc1)c1ccc2ccccc2c1C(N)=Cc1ccccc1
InChIInChI=1S/C26H22N2/c27-24(17-19-9-3-1-4-10-19)23-16-15-21-13-7-8-14-22(21)26(23)25(28)18-20-11-5-2-6-12-20/h1-18H,27-28H2
InChIKeyLJXOMGDFPWQTTO-UHFFFAOYSA-N
XLogP5.75
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 ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-amino-2-phenylethenyl)naphthalen-2-yl]-2-phenylethenamine?
The IUPAC name of 1-[1-(1-amino-2-phenylethenyl)naphthalen-2-yl]-2-phenylethenamine (CID 66890063) is 1-[1-(1-amino-2-phenylethenyl)naphthalen-2-yl]-2-phenylethenamine.
What is the SMILES notation for 1-[1-(1-amino-2-phenylethenyl)naphthalen-2-yl]-2-phenylethenamine?
The canonical SMILES for 1-[1-(1-amino-2-phenylethenyl)naphthalen-2-yl]-2-phenylethenamine is NC(=Cc1ccccc1)c1ccc2ccccc2c1C(N)=Cc1ccccc1.
What is the InChIKey of 1-[1-(1-amino-2-phenylethenyl)naphthalen-2-yl]-2-phenylethenamine?
The InChIKey is LJXOMGDFPWQTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2/c27-24(17-19-9-3-1-4-10-19)23-16-15-21-13-7-8-14-22(21)26(23)25(28)18-20-11-5-2-6-12-20/h1-18H,27-28H2.
What are the key properties of 1-[1-(1-amino-2-phenylethenyl)naphthalen-2-yl]-2-phenylethenamine?
1-[1-(1-amino-2-phenylethenyl)naphthalen-2-yl]-2-phenylethenamine has a molecular weight of 362.48 g/mol, XLogP of 5.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-amino-2-phenylethenyl)naphthalen-2-yl]-2-phenylethenamine is sourced from PubChem (CID 66890063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).