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

C36H23FO8S7 — CID 89436380

IUPAC2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid
SMILESO=C(O)Cc1ccsc1-c1ccc(-c2sc(-c3cc(F)c(-c4cc(CC(=O)O)c(-c5ccc(-c6sccc6CC(=O)O)s5)s4)s3)cc2CC(=O)O)s1
InChIInChI=1S/C36H23FO8S7/c37-20-15-26(25-9-18(13-30(42)43)34(50-25)23-3-1-21(48-23)32-16(5-7-46-32)11-28(38)39)51-36(20)27-10-19(14-31(44)45)35(52-27)24-4-2-22(49-24)33-17(6-8-47-33)12-29(40)41/h1-10,15H,11-14H2,(H,38,39)(H,40,41)(H,42,43)(H,44,45)
InChIKeyKDUAKGGYISIGNS-UHFFFAOYSA-N
MW827.04 g/mol
LogP10.77
Rot. Bonds14

About 2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-fluorothiophen-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)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid (PubChem CID 89436380) 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)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-fluorothiophen-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)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid
PubChem CID89436380
Molecular FormulaC36H23FO8S7
Molecular Weight827.04 g/mol
Exact Mass825.94
IUPAC Name2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid
SMILESO=C(O)Cc1ccsc1-c1ccc(-c2sc(-c3cc(F)c(-c4cc(CC(=O)O)c(-c5ccc(-c6sccc6CC(=O)O)s5)s4)s3)cc2CC(=O)O)s1
InChIInChI=1S/C36H23FO8S7/c37-20-15-26(25-9-18(13-30(42)43)34(50-25)23-3-1-21(48-23)32-16(5-7-46-32)11-28(38)39)51-36(20)27-10-19(14-31(44)45)35(52-27)24-4-2-22(49-24)33-17(6-8-47-33)12-29(40)41/h1-10,15H,11-14H2,(H,38,39)(H,40,41)(H,42,43)(H,44,45)
InChIKeyKDUAKGGYISIGNS-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)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-fluorothiophen-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)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-fluorothiophen-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)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid (CID 89436380) is 2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-fluorothiophen-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)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-fluorothiophen-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)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid is O=C(O)Cc1ccsc1-c1ccc(-c2sc(-c3cc(F)c(-c4cc(CC(=O)O)c(-c5ccc(-c6sccc6CC(=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)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid?
The InChIKey is KDUAKGGYISIGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23FO8S7/c37-20-15-26(25-9-18(13-30(42)43)34(50-25)23-3-1-21(48-23)32-16(5-7-46-32)11-28(38)39)51-36(20)27-10-19(14-31(44)45)35(52-27)24-4-2-22(49-24)33-17(6-8-47-33)12-29(40)41/h1-10,15H,11-14H2,(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)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-fluorothiophen-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)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-fluorothiophen-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)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-fluorothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid is sourced from PubChem (CID 89436380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).