N-[8-(benzylideneamino)naphthalen-1-yl]-1-cyclohepta-1,4,6-trien-1-ylmethanimine

C25H20N2 — CID 143992225

IUPACN-[8-(benzylideneamino)naphthalen-1-yl]-1-cyclohepta-1,4,6-trien-1-ylmethanimine
SMILESC1=CCC=C(/C=N/c2cccc3cccc(/N=C/c4ccccc4)c23)C=C1
InChIInChI=1S/C25H20N2/c1-2-5-11-20(10-4-1)18-26-23-16-8-14-22-15-9-17-24(25(22)23)27-19-21-12-6-3-7-13-21/h1-4,6-19H,5H2/b26-18+,27-19+
InChIKeyRGFSBZDEMPFFNW-BFNWXZRRSA-N
MW348.45 g/mol
LogP6.74
Rot. Bonds4

About N-[8-(benzylideneamino)naphthalen-1-yl]-1-cyclohepta-1,4,6-trien-1-ylmethanimine

N-[8-(benzylideneamino)naphthalen-1-yl]-1-cyclohepta-1,4,6-trien-1-ylmethanimine (PubChem CID 143992225) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[8-(benzylideneamino)naphthalen-1-yl]-1-cyclohepta-1,4,6-trien-1-ylmethanimine.

Molecular Properties

Compound NameN-[8-(benzylideneamino)naphthalen-1-yl]-1-cyclohepta-1,4,6-trien-1-ylmethanimine
PubChem CID143992225
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC NameN-[8-(benzylideneamino)naphthalen-1-yl]-1-cyclohepta-1,4,6-trien-1-ylmethanimine
SMILESC1=CCC=C(/C=N/c2cccc3cccc(/N=C/c4ccccc4)c23)C=C1
InChIInChI=1S/C25H20N2/c1-2-5-11-20(10-4-1)18-26-23-16-8-14-22-15-9-17-24(25(22)23)27-19-21-12-6-3-7-13-21/h1-4,6-19H,5H2/b26-18+,27-19+
InChIKeyRGFSBZDEMPFFNW-BFNWXZRRSA-N
XLogP6.74
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[8-(benzylideneamino)naphthalen-1-yl]-1-cyclohepta-1,4,6-trien-1-ylmethanimine?
The IUPAC name of N-[8-(benzylideneamino)naphthalen-1-yl]-1-cyclohepta-1,4,6-trien-1-ylmethanimine (CID 143992225) is N-[8-(benzylideneamino)naphthalen-1-yl]-1-cyclohepta-1,4,6-trien-1-ylmethanimine.
What is the SMILES notation for N-[8-(benzylideneamino)naphthalen-1-yl]-1-cyclohepta-1,4,6-trien-1-ylmethanimine?
The canonical SMILES for N-[8-(benzylideneamino)naphthalen-1-yl]-1-cyclohepta-1,4,6-trien-1-ylmethanimine is C1=CCC=C(/C=N/c2cccc3cccc(/N=C/c4ccccc4)c23)C=C1.
What is the InChIKey of N-[8-(benzylideneamino)naphthalen-1-yl]-1-cyclohepta-1,4,6-trien-1-ylmethanimine?
The InChIKey is RGFSBZDEMPFFNW-BFNWXZRRSA-N. The full InChI is InChI=1S/C25H20N2/c1-2-5-11-20(10-4-1)18-26-23-16-8-14-22-15-9-17-24(25(22)23)27-19-21-12-6-3-7-13-21/h1-4,6-19H,5H2/b26-18+,27-19+.
What are the key properties of N-[8-(benzylideneamino)naphthalen-1-yl]-1-cyclohepta-1,4,6-trien-1-ylmethanimine?
N-[8-(benzylideneamino)naphthalen-1-yl]-1-cyclohepta-1,4,6-trien-1-ylmethanimine has a molecular weight of 348.45 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(benzylideneamino)naphthalen-1-yl]-1-cyclohepta-1,4,6-trien-1-ylmethanimine is sourced from PubChem (CID 143992225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).