1,7-phenanthroline;dihydrochloride

C12H10Cl2N2 — CID 174688507

IUPAC1,7-phenanthroline;dihydrochloride
SMILESCl.Cl.c1cnc2c(c1)ccc1ncccc12
InChIInChI=1S/C12H8N2.2ClH/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;;/h1-8H;2*1H
InChIKeyFXQTVQWRJKPAOL-UHFFFAOYSA-N
MW253.13 g/mol
LogP3.63
Rot. Bonds

About 1,7-phenanthroline;dihydrochloride

1,7-phenanthroline;dihydrochloride (PubChem CID 174688507) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 1,7-phenanthroline;dihydrochloride.

Molecular Properties

Compound Name1,7-phenanthroline;dihydrochloride
PubChem CID174688507
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name1,7-phenanthroline;dihydrochloride
SMILESCl.Cl.c1cnc2c(c1)ccc1ncccc12
InChIInChI=1S/C12H8N2.2ClH/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;;/h1-8H;2*1H
InChIKeyFXQTVQWRJKPAOL-UHFFFAOYSA-N
XLogP3.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1,7-phenanthroline;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,7-phenanthroline;vanadium
CID 174318955
methanol;1,7-phenanthroline
CID 174496893
europium(3+);1,7-phenanthroline;trinitrate
CID 174550774
nitric acid;1,7-phenanthroline
CID 175111698
CID 87856781
CID 87856781
benzo[h]quinoline;naphthalene
CID 175017782
tris(1,3-dinaphthalen-1-ylpropane-1,3-dione);europium;1,7-phenanthroline
CID 173066827
beryllium;benzo[h]quinoline;hydride;quinoline
CID 174631089
tetrakis(N,N-diethylcarbamodithioate);1,7-phenanthroline;tin(4+)
CID 174667242
benzo[g]pteridine;1,7-phenanthroline
CID 69047537
pyrido[2,3-i][1,2]benzodiazepin-3-one
CID 67724117
13,23-diazahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1,3,5,7,9,11,13,15,17,19(24),20,22,25-tridecaene
CID 175483832

Frequently Asked Questions

What is the IUPAC name of 1,7-phenanthroline;dihydrochloride?
The IUPAC name of 1,7-phenanthroline;dihydrochloride (CID 174688507) is 1,7-phenanthroline;dihydrochloride.
What is the SMILES notation for 1,7-phenanthroline;dihydrochloride?
The canonical SMILES for 1,7-phenanthroline;dihydrochloride is Cl.Cl.c1cnc2c(c1)ccc1ncccc12.
What is the InChIKey of 1,7-phenanthroline;dihydrochloride?
The InChIKey is FXQTVQWRJKPAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.2ClH/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;;/h1-8H;2*1H.
What are the key properties of 1,7-phenanthroline;dihydrochloride?
1,7-phenanthroline;dihydrochloride has a molecular weight of 253.13 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-phenanthroline;dihydrochloride is sourced from PubChem (CID 174688507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).