2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid

C36H23FO8S7 — CID 89436347

IUPAC2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid
SMILESO=C(O)Cc1ccsc1-c1ccc(-c2sc(-c3ccc(-c4cc(CC(=O)O)c(-c5ccc(-c6sc(F)cc6CC(=O)O)s5)s4)s3)cc2CC(=O)O)s1
InChIInChI=1S/C36H23FO8S7/c37-28-11-19(15-32(44)45)36(52-28)25-6-5-24(49-25)35-18(14-31(42)43)10-27(51-35)21-2-1-20(47-21)26-9-17(13-30(40)41)34(50-26)23-4-3-22(48-23)33-16(7-8-46-33)12-29(38)39/h1-11H,12-15H2,(H,38,39)(H,40,41)(H,42,43)(H,44,45)
InChIKeyXEVFJRDSPCPVMT-UHFFFAOYSA-N
MW827.04 g/mol
LogP10.77
Rot. Bonds14

About 2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid

2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid (PubChem CID 89436347) has the molecular formula C36H23FO8S7 and a molecular weight of 827.04 g/mol. Its IUPAC name is 2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid
PubChem CID89436347
Molecular FormulaC36H23FO8S7
Molecular Weight827.04 g/mol
Exact Mass825.94
IUPAC Name2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid
SMILESO=C(O)Cc1ccsc1-c1ccc(-c2sc(-c3ccc(-c4cc(CC(=O)O)c(-c5ccc(-c6sc(F)cc6CC(=O)O)s5)s4)s3)cc2CC(=O)O)s1
InChIInChI=1S/C36H23FO8S7/c37-28-11-19(15-32(44)45)36(52-28)25-6-5-24(49-25)35-18(14-31(42)43)10-27(51-35)21-2-1-20(47-21)26-9-17(13-30(40)41)34(50-26)23-4-3-22(48-23)33-16(7-8-46-33)12-29(38)39/h1-11H,12-15H2,(H,38,39)(H,40,41)(H,42,43)(H,44,45)
InChIKeyXEVFJRDSPCPVMT-UHFFFAOYSA-N
XLogP10.77
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500827.04
LogP ≤ 510.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid?
The IUPAC name of 2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid (CID 89436347) is 2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid.
What is the SMILES notation for 2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid?
The canonical SMILES for 2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid is O=C(O)Cc1ccsc1-c1ccc(-c2sc(-c3ccc(-c4cc(CC(=O)O)c(-c5ccc(-c6sc(F)cc6CC(=O)O)s5)s4)s3)cc2CC(=O)O)s1.
What is the InChIKey of 2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid?
The InChIKey is XEVFJRDSPCPVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23FO8S7/c37-28-11-19(15-32(44)45)36(52-28)25-6-5-24(49-25)35-18(14-31(42)43)10-27(51-35)21-2-1-20(47-21)26-9-17(13-30(40)41)34(50-26)23-4-3-22(48-23)33-16(7-8-46-33)12-29(38)39/h1-11H,12-15H2,(H,38,39)(H,40,41)(H,42,43)(H,44,45).
What are the key properties of 2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid?
2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid has a molecular weight of 827.04 g/mol, XLogP of 10.77, 14 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid is sourced from PubChem (CID 89436347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).