sodium 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylate

C24H15FNNaO2 — CID 23668976

IUPACsodium 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylate
SMILESO=C([O-])c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1CC2.[Na+]
InChIInChI=1S/C24H16FNO2.Na/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);/q;+1/p-1
InChIKeyIWWHYKOTAAICBZ-UHFFFAOYSA-M
MW391.38 g/mol
LogP1.17
Rot. Bonds2

About sodium 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylate

sodium 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylate (PubChem CID 23668976) has the molecular formula C24H15FNNaO2 and a molecular weight of 391.38 g/mol. Its IUPAC name is sodium 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylate.

Molecular Properties

Compound Namesodium 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylate
PubChem CID23668976
Molecular FormulaC24H15FNNaO2
Molecular Weight391.38 g/mol
Exact Mass391.10
IUPAC Namesodium 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylate
SMILESO=C([O-])c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1CC2.[Na+]
InChIInChI=1S/C24H16FNO2.Na/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);/q;+1/p-1
InChIKeyIWWHYKOTAAICBZ-UHFFFAOYSA-M
XLogP1.17
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylate?
The IUPAC name of sodium 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylate (CID 23668976) is sodium 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylate.
What is the SMILES notation for sodium 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylate?
The canonical SMILES for sodium 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylate is O=C([O-])c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1CC2.[Na+].
What is the InChIKey of sodium 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylate?
The InChIKey is IWWHYKOTAAICBZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H16FNO2.Na/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);/q;+1/p-1.
What are the key properties of sodium 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylate?
sodium 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylate has a molecular weight of 391.38 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylate is sourced from PubChem (CID 23668976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).