4-bromo-7-phenyl-1,10-phenanthroline

C18H11BrN2 — CID 18759599

IUPAC4-bromo-7-phenyl-1,10-phenanthroline
SMILESBrc1ccnc2c1ccc1c(-c3ccccc3)ccnc12
InChIInChI=1S/C18H11BrN2/c19-16-9-11-21-18-15(16)7-6-14-13(8-10-20-17(14)18)12-4-2-1-3-5-12/h1-11H
InChIKeyPBLLISUKTPVNFK-UHFFFAOYSA-N
MW335.20 g/mol
LogP5.21
Rot. Bonds1

About 4-bromo-7-phenyl-1,10-phenanthroline

4-bromo-7-phenyl-1,10-phenanthroline (PubChem CID 18759599) has the molecular formula C18H11BrN2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 4-bromo-7-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name4-bromo-7-phenyl-1,10-phenanthroline
PubChem CID18759599
Molecular FormulaC18H11BrN2
Molecular Weight335.20 g/mol
Exact Mass334.01
IUPAC Name4-bromo-7-phenyl-1,10-phenanthroline
SMILESBrc1ccnc2c1ccc1c(-c3ccccc3)ccnc12
InChIInChI=1S/C18H11BrN2/c19-16-9-11-21-18-15(16)7-6-14-13(8-10-20-17(14)18)12-4-2-1-3-5-12/h1-11H
InChIKeyPBLLISUKTPVNFK-UHFFFAOYSA-N
XLogP5.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.20
LogP ≤ 55.21
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 4-bromo-7-phenyl-1,10-phenanthroline?
The IUPAC name of 4-bromo-7-phenyl-1,10-phenanthroline (CID 18759599) is 4-bromo-7-phenyl-1,10-phenanthroline.
What is the SMILES notation for 4-bromo-7-phenyl-1,10-phenanthroline?
The canonical SMILES for 4-bromo-7-phenyl-1,10-phenanthroline is Brc1ccnc2c1ccc1c(-c3ccccc3)ccnc12.
What is the InChIKey of 4-bromo-7-phenyl-1,10-phenanthroline?
The InChIKey is PBLLISUKTPVNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN2/c19-16-9-11-21-18-15(16)7-6-14-13(8-10-20-17(14)18)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 4-bromo-7-phenyl-1,10-phenanthroline?
4-bromo-7-phenyl-1,10-phenanthroline has a molecular weight of 335.20 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-phenyl-1,10-phenanthroline is sourced from PubChem (CID 18759599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).