bis(1,10-phenanthroline);dihydrobromide

C24H18Br2N4 — CID 70430219

IUPACbis(1,10-phenanthroline);dihydrobromide
SMILESBr.Br.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2BrH/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h2*1-8H;2*1H
InChIKeyIAGBHVHCAVQOQK-UHFFFAOYSA-N
MW522.24 g/mol
LogP6.72
Rot. Bonds

About bis(1,10-phenanthroline);dihydrobromide

bis(1,10-phenanthroline);dihydrobromide (PubChem CID 70430219) has the molecular formula C24H18Br2N4 and a molecular weight of 522.24 g/mol. Its IUPAC name is bis(1,10-phenanthroline);dihydrobromide.

Molecular Properties

Compound Namebis(1,10-phenanthroline);dihydrobromide
PubChem CID70430219
Molecular FormulaC24H18Br2N4
Molecular Weight522.24 g/mol
Exact Mass519.99
IUPAC Namebis(1,10-phenanthroline);dihydrobromide
SMILESBr.Br.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2BrH/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h2*1-8H;2*1H
InChIKeyIAGBHVHCAVQOQK-UHFFFAOYSA-N
XLogP6.72
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.24
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(1,10-phenanthroline);dihydrobromide 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

1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate
CID 139076364
iron(2+);bis(1,10-phenanthroline);dicyanide
CID 117059127
sodium;cobalt(3+);molybdenum;(oxygen(2-));tris(1,10-phenanthroline);trihydrate
CID 139178820
diiodo(dimethyl)stannane;1,10-phenanthroline
CID 4611650
dichlororuthenium;tris(1,10-phenanthroline);hexahydrate
CID 53393580
bis(cobalt(2+));hexakis(1,10-phenanthroline);tetratriiodide
CID 139068271

Frequently Asked Questions

What is the IUPAC name of bis(1,10-phenanthroline);dihydrobromide?
The IUPAC name of bis(1,10-phenanthroline);dihydrobromide (CID 70430219) is bis(1,10-phenanthroline);dihydrobromide.
What is the SMILES notation for bis(1,10-phenanthroline);dihydrobromide?
The canonical SMILES for bis(1,10-phenanthroline);dihydrobromide is Br.Br.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of bis(1,10-phenanthroline);dihydrobromide?
The InChIKey is IAGBHVHCAVQOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2.2BrH/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h2*1-8H;2*1H.
What are the key properties of bis(1,10-phenanthroline);dihydrobromide?
bis(1,10-phenanthroline);dihydrobromide has a molecular weight of 522.24 g/mol, XLogP of 6.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,10-phenanthroline);dihydrobromide is sourced from PubChem (CID 70430219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).