1-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-1-ylethanimine

C24H19N — CID 71397092

IUPAC1-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-1-ylethanimine
SMILESC/C(=N\c1cccc2ccccc12)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C24H19N/c1-16(25-23-11-5-7-17-6-2-3-9-21(17)23)20-15-14-19-13-12-18-8-4-10-22(20)24(18)19/h2-11,14-15H,12-13H2,1H3/b25-16+
InChIKeyIZEPTEXYCUEIDU-PCLIKHOPSA-N
MW321.42 g/mol
LogP6.23
Rot. Bonds2

About 1-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-1-ylethanimine

1-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-1-ylethanimine (PubChem CID 71397092) has the molecular formula C24H19N and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-1-ylethanimine.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-1-ylethanimine
PubChem CID71397092
Molecular FormulaC24H19N
Molecular Weight321.42 g/mol
Exact Mass321.15
IUPAC Name1-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-1-ylethanimine
SMILESC/C(=N\c1cccc2ccccc12)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C24H19N/c1-16(25-23-11-5-7-17-6-2-3-9-21(17)23)20-15-14-19-13-12-18-8-4-10-22(20)24(18)19/h2-11,14-15H,12-13H2,1H3/b25-16+
InChIKeyIZEPTEXYCUEIDU-PCLIKHOPSA-N
XLogP6.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-1-ylethanimine?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-1-ylethanimine (CID 71397092) is 1-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-1-ylethanimine.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-1-ylethanimine?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-1-ylethanimine is C/C(=N\c1cccc2ccccc12)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-1-ylethanimine?
The InChIKey is IZEPTEXYCUEIDU-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H19N/c1-16(25-23-11-5-7-17-6-2-3-9-21(17)23)20-15-14-19-13-12-18-8-4-10-22(20)24(18)19/h2-11,14-15H,12-13H2,1H3/b25-16+.
What are the key properties of 1-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-1-ylethanimine?
1-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-1-ylethanimine has a molecular weight of 321.42 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-1-ylethanimine is sourced from PubChem (CID 71397092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).