anthracene-9,10-diimine

C14H10N2 — CID 22601866

IUPACanthracene-9,10-diimine
SMILES[H]N=C1c2ccccc2C(=N[H])c2ccccc21
InChIInChI=1S/C14H10N2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8,15-16H/b15-13-,16-14+
InChIKeyBJTZWEABCKXEJD-VCFJNTAESA-N
MW206.25 g/mol
LogP2.83
Rot. Bonds

About anthracene-9,10-diimine

anthracene-9,10-diimine (PubChem CID 22601866) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is anthracene-9,10-diimine.

Molecular Properties

Compound Nameanthracene-9,10-diimine
PubChem CID22601866
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Nameanthracene-9,10-diimine
SMILES[H]N=C1c2ccccc2C(=N[H])c2ccccc21
InChIInChI=1S/C14H10N2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8,15-16H/b15-13-,16-14+
InChIKeyBJTZWEABCKXEJD-VCFJNTAESA-N
XLogP2.83
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anthracene-9,10-diimine?
The IUPAC name of anthracene-9,10-diimine (CID 22601866) is anthracene-9,10-diimine.
What is the SMILES notation for anthracene-9,10-diimine?
The canonical SMILES for anthracene-9,10-diimine is [H]N=C1c2ccccc2C(=N[H])c2ccccc21.
What is the InChIKey of anthracene-9,10-diimine?
The InChIKey is BJTZWEABCKXEJD-VCFJNTAESA-N. The full InChI is InChI=1S/C14H10N2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8,15-16H/b15-13-,16-14+.
What are the key properties of anthracene-9,10-diimine?
anthracene-9,10-diimine has a molecular weight of 206.25 g/mol, XLogP of 2.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-9,10-diimine is sourced from PubChem (CID 22601866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).