9-oxo-1,4-diphenylfluorene-3-carboxylic acid

C26H16O3 — CID 141295557

IUPAC9-oxo-1,4-diphenylfluorene-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)c2c(c1-c1ccccc1)-c1ccccc1C2=O
InChIInChI=1S/C26H16O3/c27-25-19-14-8-7-13-18(19)23-22(17-11-5-2-6-12-17)21(26(28)29)15-20(24(23)25)16-9-3-1-4-10-16/h1-15H,(H,28,29)
InChIKeyPCYSQDAFDHSAIH-UHFFFAOYSA-N
MW376.41 g/mol
LogP5.93
Rot. Bonds3

About 9-oxo-1,4-diphenylfluorene-3-carboxylic acid

9-oxo-1,4-diphenylfluorene-3-carboxylic acid (PubChem CID 141295557) has the molecular formula C26H16O3 and a molecular weight of 376.41 g/mol. Its IUPAC name is 9-oxo-1,4-diphenylfluorene-3-carboxylic acid.

Molecular Properties

Compound Name9-oxo-1,4-diphenylfluorene-3-carboxylic acid
PubChem CID141295557
Molecular FormulaC26H16O3
Molecular Weight376.41 g/mol
Exact Mass376.11
IUPAC Name9-oxo-1,4-diphenylfluorene-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)c2c(c1-c1ccccc1)-c1ccccc1C2=O
InChIInChI=1S/C26H16O3/c27-25-19-14-8-7-13-18(19)23-22(17-11-5-2-6-12-17)21(26(28)29)15-20(24(23)25)16-9-3-1-4-10-16/h1-15H,(H,28,29)
InChIKeyPCYSQDAFDHSAIH-UHFFFAOYSA-N
XLogP5.93
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.41
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-diphenylbenzene-1,2,3-tricarboxylic acid
CID 91377985
1,2,4-tris(4-fluorophenyl)anthracene-9,10-dione
CID 53392838
2-bromo-9-oxofluorene-4-carboxylic acid
CID 68690695
anthracene-9,10-dione;phthalic acid
CID 158904853
5-[2-[2-(2-phenylphenyl)phenyl]phenyl]benzene-1,2,3,4-tetracarboxylic acid
CID 139991262
2-iodyl-4,5-diphenylbenzene-1,3-dicarboxylic acid
CID 23357409
1,8-diphenyl-4-propan-2-ylnaphthalene-2-carboxylic acid
CID 158713023
2-hydroxy-1-phenylfluoren-9-one
CID 162516784
9,10-dioxo-3-sulfanylanthracene-2-carboxylic acid
CID 154106700
benzoyl benzenecarboperoxoate;2,3-diphenylanthracene-9,10-dione
CID 174818786
1-chloro-4-phenyl-2-sulfanylanthracene-9,10-dione
CID 22759190
phosphanyl 2,3,4,5-tetraphenylbenzoate
CID 141485205

Frequently Asked Questions

What is the IUPAC name of 9-oxo-1,4-diphenylfluorene-3-carboxylic acid?
The IUPAC name of 9-oxo-1,4-diphenylfluorene-3-carboxylic acid (CID 141295557) is 9-oxo-1,4-diphenylfluorene-3-carboxylic acid.
What is the SMILES notation for 9-oxo-1,4-diphenylfluorene-3-carboxylic acid?
The canonical SMILES for 9-oxo-1,4-diphenylfluorene-3-carboxylic acid is O=C(O)c1cc(-c2ccccc2)c2c(c1-c1ccccc1)-c1ccccc1C2=O.
What is the InChIKey of 9-oxo-1,4-diphenylfluorene-3-carboxylic acid?
The InChIKey is PCYSQDAFDHSAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16O3/c27-25-19-14-8-7-13-18(19)23-22(17-11-5-2-6-12-17)21(26(28)29)15-20(24(23)25)16-9-3-1-4-10-16/h1-15H,(H,28,29).
What are the key properties of 9-oxo-1,4-diphenylfluorene-3-carboxylic acid?
9-oxo-1,4-diphenylfluorene-3-carboxylic acid has a molecular weight of 376.41 g/mol, XLogP of 5.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-1,4-diphenylfluorene-3-carboxylic acid is sourced from PubChem (CID 141295557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).