3-(4-bromophenyl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine

C25H17BrN2O — CID 132849963

IUPAC3-(4-bromophenyl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine
SMILESCOc1ccc(-c2cc(-c3ccc(Br)cc3)nc3cnc4ccccc4c23)cc1
InChIInChI=1S/C25H17BrN2O/c1-29-19-12-8-16(9-13-19)21-14-23(17-6-10-18(26)11-7-17)28-24-15-27-22-5-3-2-4-20(22)25(21)24/h2-15H,1H3
InChIKeyWQVBCRPFMWKAKH-UHFFFAOYSA-N
MW441.33 g/mol
LogP6.89
Rot. Bonds3

About 3-(4-bromophenyl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine

3-(4-bromophenyl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine (PubChem CID 132849963) has the molecular formula C25H17BrN2O and a molecular weight of 441.33 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine
PubChem CID132849963
Molecular FormulaC25H17BrN2O
Molecular Weight441.33 g/mol
Exact Mass440.05
IUPAC Name3-(4-bromophenyl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine
SMILESCOc1ccc(-c2cc(-c3ccc(Br)cc3)nc3cnc4ccccc4c23)cc1
InChIInChI=1S/C25H17BrN2O/c1-29-19-12-8-16(9-13-19)21-14-23(17-6-10-18(26)11-7-17)28-24-15-27-22-5-3-2-4-20(22)25(21)24/h2-15H,1H3
InChIKeyWQVBCRPFMWKAKH-UHFFFAOYSA-N
XLogP6.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.33
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-bromophenyl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine?
The IUPAC name of 3-(4-bromophenyl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine (CID 132849963) is 3-(4-bromophenyl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine.
What is the SMILES notation for 3-(4-bromophenyl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine?
The canonical SMILES for 3-(4-bromophenyl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine is COc1ccc(-c2cc(-c3ccc(Br)cc3)nc3cnc4ccccc4c23)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine?
The InChIKey is WQVBCRPFMWKAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrN2O/c1-29-19-12-8-16(9-13-19)21-14-23(17-6-10-18(26)11-7-17)28-24-15-27-22-5-3-2-4-20(22)25(21)24/h2-15H,1H3.
What are the key properties of 3-(4-bromophenyl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine?
3-(4-bromophenyl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine has a molecular weight of 441.33 g/mol, XLogP of 6.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine is sourced from PubChem (CID 132849963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).