acridine;acridine-3,6-diamine

C26H20N4 — CID 21276006

IUPACacridine;acridine-3,6-diamine
SMILESNc1ccc2cc3ccc(N)cc3nc2c1.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H11N3.C13H9N/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-7H,14-15H2;1-9H
InChIKeyBRFIIPIEUOOOLJ-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.94
Rot. Bonds

About acridine;acridine-3,6-diamine

acridine;acridine-3,6-diamine (PubChem CID 21276006) has the molecular formula C26H20N4 and a molecular weight of 388.47 g/mol. Its IUPAC name is acridine;acridine-3,6-diamine.

Molecular Properties

Compound Nameacridine;acridine-3,6-diamine
PubChem CID21276006
Molecular FormulaC26H20N4
Molecular Weight388.47 g/mol
Exact Mass388.17
IUPAC Nameacridine;acridine-3,6-diamine
SMILESNc1ccc2cc3ccc(N)cc3nc2c1.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H11N3.C13H9N/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-7H,14-15H2;1-9H
InChIKeyBRFIIPIEUOOOLJ-UHFFFAOYSA-N
XLogP5.94
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 acridine;acridine-3,6-diamine?
The IUPAC name of acridine;acridine-3,6-diamine (CID 21276006) is acridine;acridine-3,6-diamine.
What is the SMILES notation for acridine;acridine-3,6-diamine?
The canonical SMILES for acridine;acridine-3,6-diamine is Nc1ccc2cc3ccc(N)cc3nc2c1.c1ccc2nc3ccccc3cc2c1.
What is the InChIKey of acridine;acridine-3,6-diamine?
The InChIKey is BRFIIPIEUOOOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3.C13H9N/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-7H,14-15H2;1-9H.
What are the key properties of acridine;acridine-3,6-diamine?
acridine;acridine-3,6-diamine has a molecular weight of 388.47 g/mol, XLogP of 5.94, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acridine;acridine-3,6-diamine is sourced from PubChem (CID 21276006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).