1,8-dihydro-1,10-phenanthroline

C12H10N2 — CID 87724484

IUPAC1,8-dihydro-1,10-phenanthroline
SMILESC1=CNc2c3c(ccc2=C1)=CCC=N3
InChIInChI=1S/C12H10N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1,3-8,13H,2H2
InChIKeyBMRFVJSWAIUHRW-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.29
Rot. Bonds

About 1,8-dihydro-1,10-phenanthroline

1,8-dihydro-1,10-phenanthroline (PubChem CID 87724484) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 1,8-dihydro-1,10-phenanthroline.

Molecular Properties

Compound Name1,8-dihydro-1,10-phenanthroline
PubChem CID87724484
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name1,8-dihydro-1,10-phenanthroline
SMILESC1=CNc2c3c(ccc2=C1)=CCC=N3
InChIInChI=1S/C12H10N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1,3-8,13H,2H2
InChIKeyBMRFVJSWAIUHRW-UHFFFAOYSA-N
XLogP1.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8-dihydro-1,10-phenanthroline?
The IUPAC name of 1,8-dihydro-1,10-phenanthroline (CID 87724484) is 1,8-dihydro-1,10-phenanthroline.
What is the SMILES notation for 1,8-dihydro-1,10-phenanthroline?
The canonical SMILES for 1,8-dihydro-1,10-phenanthroline is C1=CNc2c3c(ccc2=C1)=CCC=N3.
What is the InChIKey of 1,8-dihydro-1,10-phenanthroline?
The InChIKey is BMRFVJSWAIUHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1,3-8,13H,2H2.
What are the key properties of 1,8-dihydro-1,10-phenanthroline?
1,8-dihydro-1,10-phenanthroline has a molecular weight of 182.23 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dihydro-1,10-phenanthroline is sourced from PubChem (CID 87724484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).