1,8-phenanthroline-5,6-diamine

C12H10N4 — CID 102119892

IUPAC1,8-phenanthroline-5,6-diamine
SMILESNc1c(N)c2cccnc2c2ccncc12
InChIInChI=1S/C12H10N4/c13-10-8-2-1-4-16-12(8)7-3-5-15-6-9(7)11(10)14/h1-6H,13-14H2
InChIKeyGVSNWGZSCPTSCV-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.95
Rot. Bonds

About 1,8-phenanthroline-5,6-diamine

1,8-phenanthroline-5,6-diamine (PubChem CID 102119892) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1,8-phenanthroline-5,6-diamine.

Molecular Properties

Compound Name1,8-phenanthroline-5,6-diamine
PubChem CID102119892
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name1,8-phenanthroline-5,6-diamine
SMILESNc1c(N)c2cccnc2c2ccncc12
InChIInChI=1S/C12H10N4/c13-10-8-2-1-4-16-12(8)7-3-5-15-6-9(7)11(10)14/h1-6H,13-14H2
InChIKeyGVSNWGZSCPTSCV-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': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diaminobenzene_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,8-phenanthroline-5,6-diamine?
The IUPAC name of 1,8-phenanthroline-5,6-diamine (CID 102119892) is 1,8-phenanthroline-5,6-diamine.
What is the SMILES notation for 1,8-phenanthroline-5,6-diamine?
The canonical SMILES for 1,8-phenanthroline-5,6-diamine is Nc1c(N)c2cccnc2c2ccncc12.
What is the InChIKey of 1,8-phenanthroline-5,6-diamine?
The InChIKey is GVSNWGZSCPTSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c13-10-8-2-1-4-16-12(8)7-3-5-15-6-9(7)11(10)14/h1-6H,13-14H2.
What are the key properties of 1,8-phenanthroline-5,6-diamine?
1,8-phenanthroline-5,6-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 1,8-phenanthroline-5,6-diamine is sourced from PubChem (CID 102119892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).