9,10-dihydronaphtho[2,3-b]acridine

C21H15N — CID 130290930

IUPAC9,10-dihydronaphtho[2,3-b]acridine
SMILESC1=c2cc3cc4cc5ccccc5nc4cc3cc2=CCC1
InChIInChI=1S/C21H15N/c1-2-6-15-10-18-13-21-19(12-17(18)9-14(15)5-1)11-16-7-3-4-8-20(16)22-21/h3-13H,1-2H2
InChIKeyLQGPQPZBVHRGQW-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.90
Rot. Bonds

About 9,10-dihydronaphtho[2,3-b]acridine

9,10-dihydronaphtho[2,3-b]acridine (PubChem CID 130290930) has the molecular formula C21H15N and a molecular weight of 281.36 g/mol. Its IUPAC name is 9,10-dihydronaphtho[2,3-b]acridine.

Molecular Properties

Compound Name9,10-dihydronaphtho[2,3-b]acridine
PubChem CID130290930
Molecular FormulaC21H15N
Molecular Weight281.36 g/mol
Exact Mass281.12
IUPAC Name9,10-dihydronaphtho[2,3-b]acridine
SMILESC1=c2cc3cc4cc5ccccc5nc4cc3cc2=CCC1
InChIInChI=1S/C21H15N/c1-2-6-15-10-18-13-21-19(12-17(18)9-14(15)5-1)11-16-7-3-4-8-20(16)22-21/h3-13H,1-2H2
InChIKeyLQGPQPZBVHRGQW-UHFFFAOYSA-N
XLogP3.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9,10-dihydronaphtho[2,3-b]acridine?
The IUPAC name of 9,10-dihydronaphtho[2,3-b]acridine (CID 130290930) is 9,10-dihydronaphtho[2,3-b]acridine.
What is the SMILES notation for 9,10-dihydronaphtho[2,3-b]acridine?
The canonical SMILES for 9,10-dihydronaphtho[2,3-b]acridine is C1=c2cc3cc4cc5ccccc5nc4cc3cc2=CCC1.
What is the InChIKey of 9,10-dihydronaphtho[2,3-b]acridine?
The InChIKey is LQGPQPZBVHRGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N/c1-2-6-15-10-18-13-21-19(12-17(18)9-14(15)5-1)11-16-7-3-4-8-20(16)22-21/h3-13H,1-2H2.
What are the key properties of 9,10-dihydronaphtho[2,3-b]acridine?
9,10-dihydronaphtho[2,3-b]acridine has a molecular weight of 281.36 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dihydronaphtho[2,3-b]acridine is sourced from PubChem (CID 130290930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).