7-[(E)-2-(3-nitrophenyl)ethenyl]benzo[c]acridine

C25H16N2O2 — CID 6526686

IUPAC7-[(E)-2-(3-nitrophenyl)ethenyl]benzo[c]acridine
SMILESO=[N+]([O-])c1cccc(/C=C/c2c3ccccc3nc3c2ccc2ccccc23)c1
InChIInChI=1S/C25H16N2O2/c28-27(29)19-8-5-6-17(16-19)12-14-21-22-10-3-4-11-24(22)26-25-20-9-2-1-7-18(20)13-15-23(21)25/h1-16H/b14-12+
InChIKeyRBLVFEJSTFGAAX-WYMLVPIESA-N
MW376.42 g/mol
LogP6.62
Rot. Bonds3

About 7-[(E)-2-(3-nitrophenyl)ethenyl]benzo[c]acridine

7-[(E)-2-(3-nitrophenyl)ethenyl]benzo[c]acridine (PubChem CID 6526686) has the molecular formula C25H16N2O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 7-[(E)-2-(3-nitrophenyl)ethenyl]benzo[c]acridine.

Molecular Properties

Compound Name7-[(E)-2-(3-nitrophenyl)ethenyl]benzo[c]acridine
PubChem CID6526686
Molecular FormulaC25H16N2O2
Molecular Weight376.42 g/mol
Exact Mass376.12
IUPAC Name7-[(E)-2-(3-nitrophenyl)ethenyl]benzo[c]acridine
SMILESO=[N+]([O-])c1cccc(/C=C/c2c3ccccc3nc3c2ccc2ccccc23)c1
InChIInChI=1S/C25H16N2O2/c28-27(29)19-8-5-6-17(16-19)12-14-21-22-10-3-4-11-24(22)26-25-20-9-2-1-7-18(20)13-15-23(21)25/h1-16H/b14-12+
InChIKeyRBLVFEJSTFGAAX-WYMLVPIESA-N
XLogP6.62
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.42
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

12-[(E)-2-(3-nitrophenyl)ethenyl]benzo[a]acridine
CID 6526683
3-ethyl-2-[2-(3-nitrophenyl)ethenyl]quinazolin-4-one
CID 629407
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one
CID 5378684
4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline
CID 21118397
2-methyl-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline
CID 5298402
2-[2-(3-nitrophenyl)ethenyl]-1,3-benzothiazole
CID 3408121
3-(4-ethoxyphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one
CID 7311918
1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]naphthalene
CID 100934830
2-[2-(3-nitrophenyl)ethenyl]-1H-benzimidazole;hydrochloride
CID 71966072
1-nitro-3-[(Z)-3-phenylprop-1-enyl]benzene
CID 56955352
2-[(E)-2-(3-nitrophenyl)ethenyl]-3-pyridin-3-ylquinazolin-4-one
CID 6165799

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-(3-nitrophenyl)ethenyl]benzo[c]acridine?
The IUPAC name of 7-[(E)-2-(3-nitrophenyl)ethenyl]benzo[c]acridine (CID 6526686) is 7-[(E)-2-(3-nitrophenyl)ethenyl]benzo[c]acridine.
What is the SMILES notation for 7-[(E)-2-(3-nitrophenyl)ethenyl]benzo[c]acridine?
The canonical SMILES for 7-[(E)-2-(3-nitrophenyl)ethenyl]benzo[c]acridine is O=[N+]([O-])c1cccc(/C=C/c2c3ccccc3nc3c2ccc2ccccc23)c1.
What is the InChIKey of 7-[(E)-2-(3-nitrophenyl)ethenyl]benzo[c]acridine?
The InChIKey is RBLVFEJSTFGAAX-WYMLVPIESA-N. The full InChI is InChI=1S/C25H16N2O2/c28-27(29)19-8-5-6-17(16-19)12-14-21-22-10-3-4-11-24(22)26-25-20-9-2-1-7-18(20)13-15-23(21)25/h1-16H/b14-12+.
What are the key properties of 7-[(E)-2-(3-nitrophenyl)ethenyl]benzo[c]acridine?
7-[(E)-2-(3-nitrophenyl)ethenyl]benzo[c]acridine has a molecular weight of 376.42 g/mol, XLogP of 6.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-2-(3-nitrophenyl)ethenyl]benzo[c]acridine is sourced from PubChem (CID 6526686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).