9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid

C24H16FNO2 — CID 14773532

IUPAC9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1CC2
InChIInChI=1S/C24H16FNO2/c25-17-8-11-21-20(13-17)22(24(27)28)19-10-7-16-12-15(14-4-2-1-3-5-14)6-9-18(16)23(19)26-21/h1-6,8-9,11-13H,7,10H2,(H,27,28)
InChIKeyUBSQJZPELRCTMC-UHFFFAOYSA-N
MW369.40 g/mol
LogP5.50
Rot. Bonds2

About 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid

9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid (PubChem CID 14773532) has the molecular formula C24H16FNO2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid.

Molecular Properties

Compound Name9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid
PubChem CID14773532
Molecular FormulaC24H16FNO2
Molecular Weight369.40 g/mol
Exact Mass369.12
IUPAC Name9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1CC2
InChIInChI=1S/C24H16FNO2/c25-17-8-11-21-20(13-17)22(24(27)28)19-10-7-16-12-15(14-4-2-1-3-5-14)6-9-18(16)23(19)26-21/h1-6,8-9,11-13H,7,10H2,(H,27,28)
InChIKeyUBSQJZPELRCTMC-UHFFFAOYSA-N
XLogP5.50
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.40
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid?
The IUPAC name of 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid (CID 14773532) is 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid.
What is the SMILES notation for 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid?
The canonical SMILES for 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid is O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1CC2.
What is the InChIKey of 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid?
The InChIKey is UBSQJZPELRCTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FNO2/c25-17-8-11-21-20(13-17)22(24(27)28)19-10-7-16-12-15(14-4-2-1-3-5-14)6-9-18(16)23(19)26-21/h1-6,8-9,11-13H,7,10H2,(H,27,28).
What are the key properties of 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid?
9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid has a molecular weight of 369.40 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid is sourced from PubChem (CID 14773532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).