3,5,6,8-tetrabromo-1,10-phenanthroline

C12H4Br4N2 — CID 11443337

IUPAC3,5,6,8-tetrabromo-1,10-phenanthroline
SMILESBrc1cnc2c(c1)c(Br)c(Br)c1cc(Br)cnc12
InChIInChI=1S/C12H4Br4N2/c13-5-1-7-9(15)10(16)8-2-6(14)4-18-12(8)11(7)17-3-5/h1-4H
InChIKeyBAPJVWLAFSQLNX-UHFFFAOYSA-N
MW495.79 g/mol
LogP5.83
Rot. Bonds

About 3,5,6,8-tetrabromo-1,10-phenanthroline

3,5,6,8-tetrabromo-1,10-phenanthroline (PubChem CID 11443337) has the molecular formula C12H4Br4N2 and a molecular weight of 495.79 g/mol. Its IUPAC name is 3,5,6,8-tetrabromo-1,10-phenanthroline.

Molecular Properties

Compound Name3,5,6,8-tetrabromo-1,10-phenanthroline
PubChem CID11443337
Molecular FormulaC12H4Br4N2
Molecular Weight495.79 g/mol
Exact Mass491.71
IUPAC Name3,5,6,8-tetrabromo-1,10-phenanthroline
SMILESBrc1cnc2c(c1)c(Br)c(Br)c1cc(Br)cnc12
InChIInChI=1S/C12H4Br4N2/c13-5-1-7-9(15)10(16)8-2-6(14)4-18-12(8)11(7)17-3-5/h1-4H
InChIKeyBAPJVWLAFSQLNX-UHFFFAOYSA-N
XLogP5.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.79
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3,5,6,8-tetrabromo-1,10-phenanthroline?
The IUPAC name of 3,5,6,8-tetrabromo-1,10-phenanthroline (CID 11443337) is 3,5,6,8-tetrabromo-1,10-phenanthroline.
What is the SMILES notation for 3,5,6,8-tetrabromo-1,10-phenanthroline?
The canonical SMILES for 3,5,6,8-tetrabromo-1,10-phenanthroline is Brc1cnc2c(c1)c(Br)c(Br)c1cc(Br)cnc12.
What is the InChIKey of 3,5,6,8-tetrabromo-1,10-phenanthroline?
The InChIKey is BAPJVWLAFSQLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Br4N2/c13-5-1-7-9(15)10(16)8-2-6(14)4-18-12(8)11(7)17-3-5/h1-4H.
What are the key properties of 3,5,6,8-tetrabromo-1,10-phenanthroline?
3,5,6,8-tetrabromo-1,10-phenanthroline has a molecular weight of 495.79 g/mol, XLogP of 5.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,8-tetrabromo-1,10-phenanthroline is sourced from PubChem (CID 11443337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).