2,9-phenanthroline-5,6-diamine

C12H10N4 — CID 118108253

IUPAC2,9-phenanthroline-5,6-diamine
SMILESNc1c(N)c2ccncc2c2cnccc12
InChIInChI=1S/C12H10N4/c13-11-7-1-3-15-5-9(7)10-6-16-4-2-8(10)12(11)14/h1-6H,13-14H2
InChIKeyJKDLWNYNEIJUAV-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.95
Rot. Bonds

About 2,9-phenanthroline-5,6-diamine

2,9-phenanthroline-5,6-diamine (PubChem CID 118108253) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2,9-phenanthroline-5,6-diamine.

Molecular Properties

Compound Name2,9-phenanthroline-5,6-diamine
PubChem CID118108253
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name2,9-phenanthroline-5,6-diamine
SMILESNc1c(N)c2ccncc2c2cnccc12
InChIInChI=1S/C12H10N4/c13-11-7-1-3-15-5-9(7)10-6-16-4-2-8(10)12(11)14/h1-6H,13-14H2
InChIKeyJKDLWNYNEIJUAV-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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Related Compounds

isoquinoline-5,8-diamine;hydrochloride
CID 75525603
1,8-phenanthroline-5,6-diamine
CID 102119892
furo[3,4-c]pyridine-1,3-diamine
CID 90474365
5,6-dimethyl-2,8-phenanthroline
CID 139435789
8-chloroisoquinolin-5-amine
CID 53421157
4-chloro-2,7-naphthyridin-1-amine
CID 71721041
4-azahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene
CID 146641531
2,9-phenanthroline
CID 23271029
3,8-phenanthroline
CID 13064691
2-methylfuro[2,3-c]pyridin-3-amine
CID 58826779
8-aminoisoquinolin-7-ol;hydrochloride
CID 67670050
8-ethoxyisoquinolin-5-amine
CID 103139590

Frequently Asked Questions

What is the IUPAC name of 2,9-phenanthroline-5,6-diamine?
The IUPAC name of 2,9-phenanthroline-5,6-diamine (CID 118108253) is 2,9-phenanthroline-5,6-diamine.
What is the SMILES notation for 2,9-phenanthroline-5,6-diamine?
The canonical SMILES for 2,9-phenanthroline-5,6-diamine is Nc1c(N)c2ccncc2c2cnccc12.
What is the InChIKey of 2,9-phenanthroline-5,6-diamine?
The InChIKey is JKDLWNYNEIJUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c13-11-7-1-3-15-5-9(7)10-6-16-4-2-8(10)12(11)14/h1-6H,13-14H2.
What are the key properties of 2,9-phenanthroline-5,6-diamine?
2,9-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 2,9-phenanthroline-5,6-diamine is sourced from PubChem (CID 118108253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).