3-(3-nitrophenyl)-1-(4-nitrophenyl)benzo[f]quinoline

C25H15N3O4 — CID 25208156

IUPAC3-(3-nitrophenyl)-1-(4-nitrophenyl)benzo[f]quinoline
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C25H15N3O4/c29-27(30)19-11-8-17(9-12-19)22-15-24(18-5-3-6-20(14-18)28(31)32)26-23-13-10-16-4-1-2-7-21(16)25(22)23/h1-15H
InChIKeyZUQOTWPQBHDGGQ-UHFFFAOYSA-N
MW421.41 g/mol
LogP6.54
Rot. Bonds4

About 3-(3-nitrophenyl)-1-(4-nitrophenyl)benzo[f]quinoline

3-(3-nitrophenyl)-1-(4-nitrophenyl)benzo[f]quinoline (PubChem CID 25208156) has the molecular formula C25H15N3O4 and a molecular weight of 421.41 g/mol. Its IUPAC name is 3-(3-nitrophenyl)-1-(4-nitrophenyl)benzo[f]quinoline.

Molecular Properties

Compound Name3-(3-nitrophenyl)-1-(4-nitrophenyl)benzo[f]quinoline
PubChem CID25208156
Molecular FormulaC25H15N3O4
Molecular Weight421.41 g/mol
Exact Mass421.11
IUPAC Name3-(3-nitrophenyl)-1-(4-nitrophenyl)benzo[f]quinoline
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C25H15N3O4/c29-27(30)19-11-8-17(9-12-19)22-15-24(18-5-3-6-20(14-18)28(31)32)26-23-13-10-16-4-1-2-7-21(16)25(22)23/h1-15H
InChIKeyZUQOTWPQBHDGGQ-UHFFFAOYSA-N
XLogP6.54
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.41
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dichlorophenyl)-1-(4-nitrophenyl)benzo[f]quinoline
CID 44613757
1-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185499
1-phenyl-3-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[f]quinoline
CID 146185379
3-(3-nitrophenyl)-1-quinolin-2-yl-4,7-phenanthroline
CID 12986948
6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
CID 10650785
1-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311
1-phenyl-8-[4-[3-[4-[4-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]phenyl]-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-[3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[f]quinoline
CID 138643638
3-phenyl-1-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[f]quinoline
CID 146185486
1-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-3-phenylbenzo[f]quinoline
CID 146185485
1-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline
CID 138644120
3-phenyl-1-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[f]quinoline
CID 146185375
3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 138644076

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrophenyl)-1-(4-nitrophenyl)benzo[f]quinoline?
The IUPAC name of 3-(3-nitrophenyl)-1-(4-nitrophenyl)benzo[f]quinoline (CID 25208156) is 3-(3-nitrophenyl)-1-(4-nitrophenyl)benzo[f]quinoline.
What is the SMILES notation for 3-(3-nitrophenyl)-1-(4-nitrophenyl)benzo[f]quinoline?
The canonical SMILES for 3-(3-nitrophenyl)-1-(4-nitrophenyl)benzo[f]quinoline is O=[N+]([O-])c1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)nc3ccc4ccccc4c23)cc1.
What is the InChIKey of 3-(3-nitrophenyl)-1-(4-nitrophenyl)benzo[f]quinoline?
The InChIKey is ZUQOTWPQBHDGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N3O4/c29-27(30)19-11-8-17(9-12-19)22-15-24(18-5-3-6-20(14-18)28(31)32)26-23-13-10-16-4-1-2-7-21(16)25(22)23/h1-15H.
What are the key properties of 3-(3-nitrophenyl)-1-(4-nitrophenyl)benzo[f]quinoline?
3-(3-nitrophenyl)-1-(4-nitrophenyl)benzo[f]quinoline has a molecular weight of 421.41 g/mol, XLogP of 6.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)-1-(4-nitrophenyl)benzo[f]quinoline is sourced from PubChem (CID 25208156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).