3-[4-[(E)-2-[4-(3-aminonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalen-2-amine

C34H26N2O2 — CID 134394157

IUPAC3-[4-[(E)-2-[4-(3-aminonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalen-2-amine
SMILESNc1cc2ccccc2cc1Oc1ccc(/C=C/c2ccc(Oc3cc4ccccc4cc3N)cc2)cc1
InChIInChI=1S/C34H26N2O2/c35-31-19-25-5-1-3-7-27(25)21-33(31)37-29-15-11-23(12-16-29)9-10-24-13-17-30(18-14-24)38-34-22-28-8-4-2-6-26(28)20-32(34)36/h1-22H,35-36H2/b10-9+
InChIKeyXDFXNSVAUVQNQH-MDZDMXLPSA-N
MW494.59 g/mol
LogP8.91
Rot. Bonds6

About 3-[4-[(E)-2-[4-(3-aminonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalen-2-amine

3-[4-[(E)-2-[4-(3-aminonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalen-2-amine (PubChem CID 134394157) has the molecular formula C34H26N2O2 and a molecular weight of 494.59 g/mol. Its IUPAC name is 3-[4-[(E)-2-[4-(3-aminonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalen-2-amine.

Molecular Properties

Compound Name3-[4-[(E)-2-[4-(3-aminonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalen-2-amine
PubChem CID134394157
Molecular FormulaC34H26N2O2
Molecular Weight494.59 g/mol
Exact Mass494.20
IUPAC Name3-[4-[(E)-2-[4-(3-aminonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalen-2-amine
SMILESNc1cc2ccccc2cc1Oc1ccc(/C=C/c2ccc(Oc3cc4ccccc4cc3N)cc2)cc1
InChIInChI=1S/C34H26N2O2/c35-31-19-25-5-1-3-7-27(25)21-33(31)37-29-15-11-23(12-16-29)9-10-24-13-17-30(18-14-24)38-34-22-28-8-4-2-6-26(28)20-32(34)36/h1-22H,35-36H2/b10-9+
InChIKeyXDFXNSVAUVQNQH-MDZDMXLPSA-N
XLogP8.91
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.59
LogP ≤ 58.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-[4-[(E)-2-[4-(3-aminonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalen-2-amine?
The IUPAC name of 3-[4-[(E)-2-[4-(3-aminonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalen-2-amine (CID 134394157) is 3-[4-[(E)-2-[4-(3-aminonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalen-2-amine.
What is the SMILES notation for 3-[4-[(E)-2-[4-(3-aminonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalen-2-amine?
The canonical SMILES for 3-[4-[(E)-2-[4-(3-aminonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalen-2-amine is Nc1cc2ccccc2cc1Oc1ccc(/C=C/c2ccc(Oc3cc4ccccc4cc3N)cc2)cc1.
What is the InChIKey of 3-[4-[(E)-2-[4-(3-aminonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalen-2-amine?
The InChIKey is XDFXNSVAUVQNQH-MDZDMXLPSA-N. The full InChI is InChI=1S/C34H26N2O2/c35-31-19-25-5-1-3-7-27(25)21-33(31)37-29-15-11-23(12-16-29)9-10-24-13-17-30(18-14-24)38-34-22-28-8-4-2-6-26(28)20-32(34)36/h1-22H,35-36H2/b10-9+.
What are the key properties of 3-[4-[(E)-2-[4-(3-aminonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalen-2-amine?
3-[4-[(E)-2-[4-(3-aminonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalen-2-amine has a molecular weight of 494.59 g/mol, XLogP of 8.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(E)-2-[4-(3-aminonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalen-2-amine is sourced from PubChem (CID 134394157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).