1-anthracen-9-yl-N-naphthalen-2-ylmethanimine

C25H17N — CID 13497417

IUPAC1-anthracen-9-yl-N-naphthalen-2-ylmethanimine
SMILESC(=N/c1ccc2ccccc2c1)\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C25H17N/c1-2-8-19-16-22(14-13-18(19)7-1)26-17-25-23-11-5-3-9-20(23)15-21-10-4-6-12-24(21)25/h1-17H/b26-17+
InChIKeyJYZLDUWDXFCOGG-YZSQISJMSA-N
MW331.42 g/mol
LogP6.90
Rot. Bonds2

About 1-anthracen-9-yl-N-naphthalen-2-ylmethanimine

1-anthracen-9-yl-N-naphthalen-2-ylmethanimine (PubChem CID 13497417) has the molecular formula C25H17N and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-anthracen-9-yl-N-naphthalen-2-ylmethanimine.

Molecular Properties

Compound Name1-anthracen-9-yl-N-naphthalen-2-ylmethanimine
PubChem CID13497417
Molecular FormulaC25H17N
Molecular Weight331.42 g/mol
Exact Mass331.14
IUPAC Name1-anthracen-9-yl-N-naphthalen-2-ylmethanimine
SMILESC(=N/c1ccc2ccccc2c1)\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C25H17N/c1-2-8-19-16-22(14-13-18(19)7-1)26-17-25-23-11-5-3-9-20(23)15-21-10-4-6-12-24(21)25/h1-17H/b26-17+
InChIKeyJYZLDUWDXFCOGG-YZSQISJMSA-N
XLogP6.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-anthracen-9-yl-N-naphthalen-2-ylmethanimine?
The IUPAC name of 1-anthracen-9-yl-N-naphthalen-2-ylmethanimine (CID 13497417) is 1-anthracen-9-yl-N-naphthalen-2-ylmethanimine.
What is the SMILES notation for 1-anthracen-9-yl-N-naphthalen-2-ylmethanimine?
The canonical SMILES for 1-anthracen-9-yl-N-naphthalen-2-ylmethanimine is C(=N/c1ccc2ccccc2c1)\c1c2ccccc2cc2ccccc12.
What is the InChIKey of 1-anthracen-9-yl-N-naphthalen-2-ylmethanimine?
The InChIKey is JYZLDUWDXFCOGG-YZSQISJMSA-N. The full InChI is InChI=1S/C25H17N/c1-2-8-19-16-22(14-13-18(19)7-1)26-17-25-23-11-5-3-9-20(23)15-21-10-4-6-12-24(21)25/h1-17H/b26-17+.
What are the key properties of 1-anthracen-9-yl-N-naphthalen-2-ylmethanimine?
1-anthracen-9-yl-N-naphthalen-2-ylmethanimine has a molecular weight of 331.42 g/mol, XLogP of 6.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-9-yl-N-naphthalen-2-ylmethanimine is sourced from PubChem (CID 13497417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).