5-[7-(3,5-dicarboxyphenyl)-9H-fluoren-2-yl]benzene-1,3-dicarboxylic acid

C29H18O8 — CID 102202263

IUPAC5-[7-(3,5-dicarboxyphenyl)-9H-fluoren-2-yl]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)cc(-c2ccc3c(c2)Cc2cc(-c4cc(C(=O)O)cc(C(=O)O)c4)ccc2-3)c1
InChIInChI=1S/C29H18O8/c30-26(31)20-7-16(8-21(12-20)27(32)33)14-1-3-24-18(5-14)11-19-6-15(2-4-25(19)24)17-9-22(28(34)35)13-23(10-17)29(36)37/h1-10,12-13H,11H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)
InChIKeySHVNFNRBYJHTDF-UHFFFAOYSA-N
MW494.46 g/mol
LogP5.38
Rot. Bonds6

About 5-[7-(3,5-dicarboxyphenyl)-9H-fluoren-2-yl]benzene-1,3-dicarboxylic acid

5-[7-(3,5-dicarboxyphenyl)-9H-fluoren-2-yl]benzene-1,3-dicarboxylic acid (PubChem CID 102202263) has the molecular formula C29H18O8 and a molecular weight of 494.46 g/mol. Its IUPAC name is 5-[7-(3,5-dicarboxyphenyl)-9H-fluoren-2-yl]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[7-(3,5-dicarboxyphenyl)-9H-fluoren-2-yl]benzene-1,3-dicarboxylic acid
PubChem CID102202263
Molecular FormulaC29H18O8
Molecular Weight494.46 g/mol
Exact Mass494.10
IUPAC Name5-[7-(3,5-dicarboxyphenyl)-9H-fluoren-2-yl]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)cc(-c2ccc3c(c2)Cc2cc(-c4cc(C(=O)O)cc(C(=O)O)c4)ccc2-3)c1
InChIInChI=1S/C29H18O8/c30-26(31)20-7-16(8-21(12-20)27(32)33)14-1-3-24-18(5-14)11-19-6-15(2-4-25(19)24)17-9-22(28(34)35)13-23(10-17)29(36)37/h1-10,12-13H,11H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)
InChIKeySHVNFNRBYJHTDF-UHFFFAOYSA-N
XLogP5.38
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.46
LogP ≤ 55.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(3,5-dicarboxyphenyl)-9H-fluoren-2-yl]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[7-(3,5-dicarboxyphenyl)-9H-fluoren-2-yl]benzene-1,3-dicarboxylic acid (CID 102202263) is 5-[7-(3,5-dicarboxyphenyl)-9H-fluoren-2-yl]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[7-(3,5-dicarboxyphenyl)-9H-fluoren-2-yl]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[7-(3,5-dicarboxyphenyl)-9H-fluoren-2-yl]benzene-1,3-dicarboxylic acid is O=C(O)c1cc(C(=O)O)cc(-c2ccc3c(c2)Cc2cc(-c4cc(C(=O)O)cc(C(=O)O)c4)ccc2-3)c1.
What is the InChIKey of 5-[7-(3,5-dicarboxyphenyl)-9H-fluoren-2-yl]benzene-1,3-dicarboxylic acid?
The InChIKey is SHVNFNRBYJHTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18O8/c30-26(31)20-7-16(8-21(12-20)27(32)33)14-1-3-24-18(5-14)11-19-6-15(2-4-25(19)24)17-9-22(28(34)35)13-23(10-17)29(36)37/h1-10,12-13H,11H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37).
What are the key properties of 5-[7-(3,5-dicarboxyphenyl)-9H-fluoren-2-yl]benzene-1,3-dicarboxylic acid?
5-[7-(3,5-dicarboxyphenyl)-9H-fluoren-2-yl]benzene-1,3-dicarboxylic acid has a molecular weight of 494.46 g/mol, XLogP of 5.38, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(3,5-dicarboxyphenyl)-9H-fluoren-2-yl]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 102202263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).