1,10-phenanthroline-4,7-diamine

C12H10N4 — CID 22138387

IUPAC1,10-phenanthroline-4,7-diamine
SMILESNc1ccnc2c1ccc1c(N)ccnc12
InChIInChI=1S/C12H10N4/c13-9-3-5-15-11-7(9)1-2-8-10(14)4-6-16-12(8)11/h1-6H,(H2,13,15)(H2,14,16)
InChIKeyPOALUWHJFRTBJA-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.95
Rot. Bonds

About 1,10-phenanthroline-4,7-diamine

1,10-phenanthroline-4,7-diamine (PubChem CID 22138387) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1,10-phenanthroline-4,7-diamine.

Molecular Properties

Compound Name1,10-phenanthroline-4,7-diamine
PubChem CID22138387
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name1,10-phenanthroline-4,7-diamine
SMILESNc1ccnc2c1ccc1c(N)ccnc12
InChIInChI=1S/C12H10N4/c13-9-3-5-15-11-7(9)1-2-8-10(14)4-6-16-12(8)11/h1-6H,(H2,13,15)(H2,14,16)
InChIKeyPOALUWHJFRTBJA-UHFFFAOYSA-N
XLogP1.95
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.95
H-Bond Donors ≤ 52
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 1,10-phenanthroline-4,7-diamine?
The IUPAC name of 1,10-phenanthroline-4,7-diamine (CID 22138387) is 1,10-phenanthroline-4,7-diamine.
What is the SMILES notation for 1,10-phenanthroline-4,7-diamine?
The canonical SMILES for 1,10-phenanthroline-4,7-diamine is Nc1ccnc2c1ccc1c(N)ccnc12.
What is the InChIKey of 1,10-phenanthroline-4,7-diamine?
The InChIKey is POALUWHJFRTBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c13-9-3-5-15-11-7(9)1-2-8-10(14)4-6-16-12(8)11/h1-6H,(H2,13,15)(H2,14,16).
What are the key properties of 1,10-phenanthroline-4,7-diamine?
1,10-phenanthroline-4,7-diamine has a molecular weight of 210.24 g/mol, XLogP of 1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-phenanthroline-4,7-diamine is sourced from PubChem (CID 22138387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).