[1,3]benzodioxolo[5,6-c][1,7]phenanthroline

C17H10N2O2 — CID 46907562

IUPAC[1,3]benzodioxolo[5,6-c][1,7]phenanthroline
SMILESc1cnc2ccc3c4cc5c(cc4cnc3c2c1)OCO5
InChIInChI=1S/C17H10N2O2/c1-2-12-14(18-5-1)4-3-11-13-7-16-15(20-9-21-16)6-10(13)8-19-17(11)12/h1-8H,9H2
InChIKeyXLKKIOLXDAIQKT-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.66
Rot. Bonds

About [1,3]benzodioxolo[5,6-c][1,7]phenanthroline

[1,3]benzodioxolo[5,6-c][1,7]phenanthroline (PubChem CID 46907562) has the molecular formula C17H10N2O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is [1,3]benzodioxolo[5,6-c][1,7]phenanthroline.

Molecular Properties

Compound Name[1,3]benzodioxolo[5,6-c][1,7]phenanthroline
PubChem CID46907562
Molecular FormulaC17H10N2O2
Molecular Weight274.28 g/mol
Exact Mass274.07
IUPAC Name[1,3]benzodioxolo[5,6-c][1,7]phenanthroline
SMILESc1cnc2ccc3c4cc5c(cc4cnc3c2c1)OCO5
InChIInChI=1S/C17H10N2O2/c1-2-12-14(18-5-1)4-3-11-13-7-16-15(20-9-21-16)6-10(13)8-19-17(11)12/h1-8H,9H2
InChIKeyXLKKIOLXDAIQKT-UHFFFAOYSA-N
XLogP3.66
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,3]benzodioxolo[5,6-c][1,7]phenanthroline?
The IUPAC name of [1,3]benzodioxolo[5,6-c][1,7]phenanthroline (CID 46907562) is [1,3]benzodioxolo[5,6-c][1,7]phenanthroline.
What is the SMILES notation for [1,3]benzodioxolo[5,6-c][1,7]phenanthroline?
The canonical SMILES for [1,3]benzodioxolo[5,6-c][1,7]phenanthroline is c1cnc2ccc3c4cc5c(cc4cnc3c2c1)OCO5.
What is the InChIKey of [1,3]benzodioxolo[5,6-c][1,7]phenanthroline?
The InChIKey is XLKKIOLXDAIQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O2/c1-2-12-14(18-5-1)4-3-11-13-7-16-15(20-9-21-16)6-10(13)8-19-17(11)12/h1-8H,9H2.
What are the key properties of [1,3]benzodioxolo[5,6-c][1,7]phenanthroline?
[1,3]benzodioxolo[5,6-c][1,7]phenanthroline has a molecular weight of 274.28 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]benzodioxolo[5,6-c][1,7]phenanthroline is sourced from PubChem (CID 46907562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).