1-(2,6-difluorophenyl)-10-methyl-9H-acridine-9-carboxylic acid;9,10-dihydroacridine

C34H26F2N2O2 — CID 70140266

IUPAC1-(2,6-difluorophenyl)-10-methyl-9H-acridine-9-carboxylic acid;9,10-dihydroacridine
SMILESCN1c2ccccc2C(C(=O)O)c2c(-c3c(F)cccc3F)cccc21.c1ccc2c(c1)Cc1ccccc1N2
InChIInChI=1S/C21H15F2NO2.C13H11N/c1-24-16-10-3-2-6-12(16)20(21(25)26)19-13(7-4-11-17(19)24)18-14(22)8-5-9-15(18)23;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h2-11,20H,1H3,(H,25,26);1-8,14H,9H2
InChIKeyUFQCCVDNWIXCTP-UHFFFAOYSA-N
MW532.59 g/mol
LogP8.26
Rot. Bonds2

About 1-(2,6-difluorophenyl)-10-methyl-9H-acridine-9-carboxylic acid;9,10-dihydroacridine

1-(2,6-difluorophenyl)-10-methyl-9H-acridine-9-carboxylic acid;9,10-dihydroacridine (PubChem CID 70140266) has the molecular formula C34H26F2N2O2 and a molecular weight of 532.59 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-10-methyl-9H-acridine-9-carboxylic acid;9,10-dihydroacridine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-10-methyl-9H-acridine-9-carboxylic acid;9,10-dihydroacridine
PubChem CID70140266
Molecular FormulaC34H26F2N2O2
Molecular Weight532.59 g/mol
Exact Mass532.20
IUPAC Name1-(2,6-difluorophenyl)-10-methyl-9H-acridine-9-carboxylic acid;9,10-dihydroacridine
SMILESCN1c2ccccc2C(C(=O)O)c2c(-c3c(F)cccc3F)cccc21.c1ccc2c(c1)Cc1ccccc1N2
InChIInChI=1S/C21H15F2NO2.C13H11N/c1-24-16-10-3-2-6-12(16)20(21(25)26)19-13(7-4-11-17(19)24)18-14(22)8-5-9-15(18)23;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h2-11,20H,1H3,(H,25,26);1-8,14H,9H2
InChIKeyUFQCCVDNWIXCTP-UHFFFAOYSA-N
XLogP8.26
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.59
LogP ≤ 58.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-10-methyl-9H-acridine-9-carboxylic acid;9,10-dihydroacridine?
The IUPAC name of 1-(2,6-difluorophenyl)-10-methyl-9H-acridine-9-carboxylic acid;9,10-dihydroacridine (CID 70140266) is 1-(2,6-difluorophenyl)-10-methyl-9H-acridine-9-carboxylic acid;9,10-dihydroacridine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-10-methyl-9H-acridine-9-carboxylic acid;9,10-dihydroacridine?
The canonical SMILES for 1-(2,6-difluorophenyl)-10-methyl-9H-acridine-9-carboxylic acid;9,10-dihydroacridine is CN1c2ccccc2C(C(=O)O)c2c(-c3c(F)cccc3F)cccc21.c1ccc2c(c1)Cc1ccccc1N2.
What is the InChIKey of 1-(2,6-difluorophenyl)-10-methyl-9H-acridine-9-carboxylic acid;9,10-dihydroacridine?
The InChIKey is UFQCCVDNWIXCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2NO2.C13H11N/c1-24-16-10-3-2-6-12(16)20(21(25)26)19-13(7-4-11-17(19)24)18-14(22)8-5-9-15(18)23;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h2-11,20H,1H3,(H,25,26);1-8,14H,9H2.
What are the key properties of 1-(2,6-difluorophenyl)-10-methyl-9H-acridine-9-carboxylic acid;9,10-dihydroacridine?
1-(2,6-difluorophenyl)-10-methyl-9H-acridine-9-carboxylic acid;9,10-dihydroacridine has a molecular weight of 532.59 g/mol, XLogP of 8.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-10-methyl-9H-acridine-9-carboxylic acid;9,10-dihydroacridine is sourced from PubChem (CID 70140266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).