(E)-1-anthracen-9-yl-N-[(E)-anthracen-9-ylmethylideneamino]methanimine

C30H20N2 — CID 6896685

IUPAC(E)-1-anthracen-9-yl-N-[(E)-anthracen-9-ylmethylideneamino]methanimine
SMILESC(=N/N=C/c1c2ccccc2cc2ccccc12)\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C30H20N2/c1-5-13-25-21(9-1)17-22-10-2-6-14-26(22)29(25)19-31-32-20-30-27-15-7-3-11-23(27)18-24-12-4-8-16-28(24)30/h1-20H/b31-19+,32-20+
InChIKeyUETMBBRZAPUQKI-GKTLAHRSSA-N
MW408.50 g/mol
LogP7.75
Rot. Bonds3

About (E)-1-anthracen-9-yl-N-[(E)-anthracen-9-ylmethylideneamino]methanimine

(E)-1-anthracen-9-yl-N-[(E)-anthracen-9-ylmethylideneamino]methanimine (PubChem CID 6896685) has the molecular formula C30H20N2 and a molecular weight of 408.50 g/mol. Its IUPAC name is (E)-1-anthracen-9-yl-N-[(E)-anthracen-9-ylmethylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-anthracen-9-yl-N-[(E)-anthracen-9-ylmethylideneamino]methanimine
PubChem CID6896685
Molecular FormulaC30H20N2
Molecular Weight408.50 g/mol
Exact Mass408.16
IUPAC Name(E)-1-anthracen-9-yl-N-[(E)-anthracen-9-ylmethylideneamino]methanimine
SMILESC(=N/N=C/c1c2ccccc2cc2ccccc12)\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C30H20N2/c1-5-13-25-21(9-1)17-22-10-2-6-14-26(22)29(25)19-31-32-20-30-27-15-7-3-11-23(27)18-24-12-4-8-16-28(24)30/h1-20H/b31-19+,32-20+
InChIKeyUETMBBRZAPUQKI-GKTLAHRSSA-N
XLogP7.75
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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 (E)-1-anthracen-9-yl-N-[(E)-anthracen-9-ylmethylideneamino]methanimine?
The IUPAC name of (E)-1-anthracen-9-yl-N-[(E)-anthracen-9-ylmethylideneamino]methanimine (CID 6896685) is (E)-1-anthracen-9-yl-N-[(E)-anthracen-9-ylmethylideneamino]methanimine.
What is the SMILES notation for (E)-1-anthracen-9-yl-N-[(E)-anthracen-9-ylmethylideneamino]methanimine?
The canonical SMILES for (E)-1-anthracen-9-yl-N-[(E)-anthracen-9-ylmethylideneamino]methanimine is C(=N/N=C/c1c2ccccc2cc2ccccc12)\c1c2ccccc2cc2ccccc12.
What is the InChIKey of (E)-1-anthracen-9-yl-N-[(E)-anthracen-9-ylmethylideneamino]methanimine?
The InChIKey is UETMBBRZAPUQKI-GKTLAHRSSA-N. The full InChI is InChI=1S/C30H20N2/c1-5-13-25-21(9-1)17-22-10-2-6-14-26(22)29(25)19-31-32-20-30-27-15-7-3-11-23(27)18-24-12-4-8-16-28(24)30/h1-20H/b31-19+,32-20+.
What are the key properties of (E)-1-anthracen-9-yl-N-[(E)-anthracen-9-ylmethylideneamino]methanimine?
(E)-1-anthracen-9-yl-N-[(E)-anthracen-9-ylmethylideneamino]methanimine has a molecular weight of 408.50 g/mol, XLogP of 7.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-anthracen-9-yl-N-[(E)-anthracen-9-ylmethylideneamino]methanimine is sourced from PubChem (CID 6896685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).