8,10-diethylbenzo[a]acridine

C21H19N — CID 625263

IUPAC8,10-diethylbenzo[a]acridine
SMILESCCc1cc(CC)c2nc3ccc4ccccc4c3cc2c1
InChIInChI=1S/C21H19N/c1-3-14-11-15(4-2)21-17(12-14)13-19-18-8-6-5-7-16(18)9-10-20(19)22-21/h5-13H,3-4H2,1-2H3
InChIKeyQOIHMWJTEBPTDO-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.67
Rot. Bonds2

About 8,10-diethylbenzo[a]acridine

8,10-diethylbenzo[a]acridine (PubChem CID 625263) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 8,10-diethylbenzo[a]acridine.

Molecular Properties

Compound Name8,10-diethylbenzo[a]acridine
PubChem CID625263
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name8,10-diethylbenzo[a]acridine
SMILESCCc1cc(CC)c2nc3ccc4ccccc4c3cc2c1
InChIInChI=1S/C21H19N/c1-3-14-11-15(4-2)21-17(12-14)13-19-18-8-6-5-7-16(18)9-10-20(19)22-21/h5-13H,3-4H2,1-2H3
InChIKeyQOIHMWJTEBPTDO-UHFFFAOYSA-N
XLogP5.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,10-diethylbenzo[a]acridine?
The IUPAC name of 8,10-diethylbenzo[a]acridine (CID 625263) is 8,10-diethylbenzo[a]acridine.
What is the SMILES notation for 8,10-diethylbenzo[a]acridine?
The canonical SMILES for 8,10-diethylbenzo[a]acridine is CCc1cc(CC)c2nc3ccc4ccccc4c3cc2c1.
What is the InChIKey of 8,10-diethylbenzo[a]acridine?
The InChIKey is QOIHMWJTEBPTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-3-14-11-15(4-2)21-17(12-14)13-19-18-8-6-5-7-16(18)9-10-20(19)22-21/h5-13H,3-4H2,1-2H3.
What are the key properties of 8,10-diethylbenzo[a]acridine?
8,10-diethylbenzo[a]acridine has a molecular weight of 285.39 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-diethylbenzo[a]acridine is sourced from PubChem (CID 625263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).