4-bromo-7,9-diphenylbenzo[c][2,7]naphthyridine

C24H15BrN2 — CID 134604513

IUPAC4-bromo-7,9-diphenylbenzo[c][2,7]naphthyridine
SMILESBrc1nccc2c1cnc1c(-c3ccccc3)cc(-c3ccccc3)cc12
InChIInChI=1S/C24H15BrN2/c25-24-22-15-27-23-20(17-9-5-2-6-10-17)13-18(16-7-3-1-4-8-16)14-21(23)19(22)11-12-26-24/h1-15H
InChIKeyPIWAXNKYJSZUMK-UHFFFAOYSA-N
MW411.30 g/mol
LogP6.88
Rot. Bonds2

About 4-bromo-7,9-diphenylbenzo[c][2,7]naphthyridine

4-bromo-7,9-diphenylbenzo[c][2,7]naphthyridine (PubChem CID 134604513) has the molecular formula C24H15BrN2 and a molecular weight of 411.30 g/mol. Its IUPAC name is 4-bromo-7,9-diphenylbenzo[c][2,7]naphthyridine.

Molecular Properties

Compound Name4-bromo-7,9-diphenylbenzo[c][2,7]naphthyridine
PubChem CID134604513
Molecular FormulaC24H15BrN2
Molecular Weight411.30 g/mol
Exact Mass410.04
IUPAC Name4-bromo-7,9-diphenylbenzo[c][2,7]naphthyridine
SMILESBrc1nccc2c1cnc1c(-c3ccccc3)cc(-c3ccccc3)cc12
InChIInChI=1S/C24H15BrN2/c25-24-22-15-27-23-20(17-9-5-2-6-10-17)13-18(16-7-3-1-4-8-16)14-21(23)19(22)11-12-26-24/h1-15H
InChIKeyPIWAXNKYJSZUMK-UHFFFAOYSA-N
XLogP6.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.30
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(4,6,8-triphenylquinolin-3-yl)methanol
CID 102334709
4-bromo-7-phenyl-1,10-phenanthroline
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3-[2-(2,6,8-triphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 58410192
3-[3-(4,6,8-triphenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 118227579
4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride
CID 21087820
4-iodo-6,8-diphenyl-[1]benzofuro[3,2-b]pyridine
CID 122693102
2-bromo-3-cyclobutyloxy-4-phenylpyridine
CID 177233608
tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride
CID 173290116
4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride
CID 173105288
2,4,9-triphenylacridine
CID 132505003
2,4,6,8-tetraphenylquinazoline
CID 143301080
6,11-bis[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89417069

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7,9-diphenylbenzo[c][2,7]naphthyridine?
The IUPAC name of 4-bromo-7,9-diphenylbenzo[c][2,7]naphthyridine (CID 134604513) is 4-bromo-7,9-diphenylbenzo[c][2,7]naphthyridine.
What is the SMILES notation for 4-bromo-7,9-diphenylbenzo[c][2,7]naphthyridine?
The canonical SMILES for 4-bromo-7,9-diphenylbenzo[c][2,7]naphthyridine is Brc1nccc2c1cnc1c(-c3ccccc3)cc(-c3ccccc3)cc12.
What is the InChIKey of 4-bromo-7,9-diphenylbenzo[c][2,7]naphthyridine?
The InChIKey is PIWAXNKYJSZUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrN2/c25-24-22-15-27-23-20(17-9-5-2-6-10-17)13-18(16-7-3-1-4-8-16)14-21(23)19(22)11-12-26-24/h1-15H.
What are the key properties of 4-bromo-7,9-diphenylbenzo[c][2,7]naphthyridine?
4-bromo-7,9-diphenylbenzo[c][2,7]naphthyridine has a molecular weight of 411.30 g/mol, XLogP of 6.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7,9-diphenylbenzo[c][2,7]naphthyridine is sourced from PubChem (CID 134604513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).