2-naphthalen-1-yloxy-1,10-phenanthroline

C22H14N2O — CID 166438437

IUPAC2-naphthalen-1-yloxy-1,10-phenanthroline
SMILESc1ccc2c(Oc3ccc4ccc5cccnc5c4n3)cccc2c1
InChIInChI=1S/C22H14N2O/c1-2-8-18-15(5-1)6-3-9-19(18)25-20-13-12-17-11-10-16-7-4-14-23-21(16)22(17)24-20/h1-14H
InChIKeyJFUPJYWBNBWRGC-UHFFFAOYSA-N
MW322.37 g/mol
LogP5.73
Rot. Bonds2

About 2-naphthalen-1-yloxy-1,10-phenanthroline

2-naphthalen-1-yloxy-1,10-phenanthroline (PubChem CID 166438437) has the molecular formula C22H14N2O and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-1,10-phenanthroline.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-1,10-phenanthroline
PubChem CID166438437
Molecular FormulaC22H14N2O
Molecular Weight322.37 g/mol
Exact Mass322.11
IUPAC Name2-naphthalen-1-yloxy-1,10-phenanthroline
SMILESc1ccc2c(Oc3ccc4ccc5cccnc5c4n3)cccc2c1
InChIInChI=1S/C22H14N2O/c1-2-8-18-15(5-1)6-3-9-19(18)25-20-13-12-17-11-10-16-7-4-14-23-21(16)22(17)24-20/h1-14H
InChIKeyJFUPJYWBNBWRGC-UHFFFAOYSA-N
XLogP5.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.37
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-naphthalen-1-yloxy-1,10-phenanthroline?
The IUPAC name of 2-naphthalen-1-yloxy-1,10-phenanthroline (CID 166438437) is 2-naphthalen-1-yloxy-1,10-phenanthroline.
What is the SMILES notation for 2-naphthalen-1-yloxy-1,10-phenanthroline?
The canonical SMILES for 2-naphthalen-1-yloxy-1,10-phenanthroline is c1ccc2c(Oc3ccc4ccc5cccnc5c4n3)cccc2c1.
What is the InChIKey of 2-naphthalen-1-yloxy-1,10-phenanthroline?
The InChIKey is JFUPJYWBNBWRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O/c1-2-8-18-15(5-1)6-3-9-19(18)25-20-13-12-17-11-10-16-7-4-14-23-21(16)22(17)24-20/h1-14H.
What are the key properties of 2-naphthalen-1-yloxy-1,10-phenanthroline?
2-naphthalen-1-yloxy-1,10-phenanthroline has a molecular weight of 322.37 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-1,10-phenanthroline is sourced from PubChem (CID 166438437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).