2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline

C22H13BrN2 — CID 118861987

IUPAC2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline
SMILESBrc1ccc(-c2ccc3ccc4cccnc4c3n2)c2ccccc12
InChIInChI=1S/C22H13BrN2/c23-19-11-10-18(16-5-1-2-6-17(16)19)20-12-9-15-8-7-14-4-3-13-24-21(14)22(15)25-20/h1-13H
InChIKeySDIWOGAFYQXTHJ-UHFFFAOYSA-N
MW385.26 g/mol
LogP6.37
Rot. Bonds1

About 2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline

2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline (PubChem CID 118861987) has the molecular formula C22H13BrN2 and a molecular weight of 385.26 g/mol. Its IUPAC name is 2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline
PubChem CID118861987
Molecular FormulaC22H13BrN2
Molecular Weight385.26 g/mol
Exact Mass384.03
IUPAC Name2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline
SMILESBrc1ccc(-c2ccc3ccc4cccnc4c3n2)c2ccccc12
InChIInChI=1S/C22H13BrN2/c23-19-11-10-18(16-5-1-2-6-17(16)19)20-12-9-15-8-7-14-4-3-13-24-21(14)22(15)25-20/h1-13H
InChIKeySDIWOGAFYQXTHJ-UHFFFAOYSA-N
XLogP6.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.26
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline 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

2-[4-(4-bromophenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 164519373
2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline
CID 134167279
2-(4-isoquinolin-1-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 118885832
2-[5-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 145221325
2-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 118885827
2-(8-ethylquinolin-5-yl)-1,10-phenanthroline
CID 145451181
2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 145221304
7-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]benzo[b][1,10]phenanthroline
CID 139445698
2-[4-[4-(5-phenylthiophen-2-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 166508990
2-(4-bromophenyl)-1,10-phenanthroline
CID 160537986
2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 171732044
2-[4-[4-(3,4,5-triphenylthiophen-2-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 166508849

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline?
The IUPAC name of 2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline (CID 118861987) is 2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline?
The canonical SMILES for 2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline is Brc1ccc(-c2ccc3ccc4cccnc4c3n2)c2ccccc12.
What is the InChIKey of 2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline?
The InChIKey is SDIWOGAFYQXTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrN2/c23-19-11-10-18(16-5-1-2-6-17(16)19)20-12-9-15-8-7-14-4-3-13-24-21(14)22(15)25-20/h1-13H.
What are the key properties of 2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline?
2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline has a molecular weight of 385.26 g/mol, XLogP of 6.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline is sourced from PubChem (CID 118861987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).