1-anthracen-9-yl-N-phenylmethanimine

C21H15N — CID 624492

IUPAC1-anthracen-9-yl-N-phenylmethanimine
SMILESC(=N/c1ccccc1)\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C21H15N/c1-2-10-18(11-3-1)22-15-21-19-12-6-4-8-16(19)14-17-9-5-7-13-20(17)21/h1-15H/b22-15+
InChIKeyOJJWOWZJUYHCPD-PXLXIMEGSA-N
MW281.36 g/mol
LogP5.74
Rot. Bonds2

About 1-anthracen-9-yl-N-phenylmethanimine

1-anthracen-9-yl-N-phenylmethanimine (PubChem CID 624492) has the molecular formula C21H15N and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-anthracen-9-yl-N-phenylmethanimine.

Molecular Properties

Compound Name1-anthracen-9-yl-N-phenylmethanimine
PubChem CID624492
Molecular FormulaC21H15N
Molecular Weight281.36 g/mol
Exact Mass281.12
IUPAC Name1-anthracen-9-yl-N-phenylmethanimine
SMILESC(=N/c1ccccc1)\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C21H15N/c1-2-10-18(11-3-1)22-15-21-19-12-6-4-8-16(19)14-17-9-5-7-13-20(17)21/h1-15H/b22-15+
InChIKeyOJJWOWZJUYHCPD-PXLXIMEGSA-N
XLogP5.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.36
LogP ≤ 55.74
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-phenylmethanimine?
The IUPAC name of 1-anthracen-9-yl-N-phenylmethanimine (CID 624492) is 1-anthracen-9-yl-N-phenylmethanimine.
What is the SMILES notation for 1-anthracen-9-yl-N-phenylmethanimine?
The canonical SMILES for 1-anthracen-9-yl-N-phenylmethanimine is C(=N/c1ccccc1)\c1c2ccccc2cc2ccccc12.
What is the InChIKey of 1-anthracen-9-yl-N-phenylmethanimine?
The InChIKey is OJJWOWZJUYHCPD-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H15N/c1-2-10-18(11-3-1)22-15-21-19-12-6-4-8-16(19)14-17-9-5-7-13-20(17)21/h1-15H/b22-15+.
What are the key properties of 1-anthracen-9-yl-N-phenylmethanimine?
1-anthracen-9-yl-N-phenylmethanimine has a molecular weight of 281.36 g/mol, XLogP of 5.74, 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-phenylmethanimine is sourced from PubChem (CID 624492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).