2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid;5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-(5-carboxythiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic acid

C62H40O16S12 — CID 161013816

IUPAC2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid;5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-(5-carboxythiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic acid
SMILESO=C(O)Cc1cc(-c2ccc(C(=O)O)s2)sc1-c1ccc(-c2sc(-c3ccc(C(=O)O)s3)cc2CC(=O)O)s1.O=C(O)Cc1ccsc1-c1ccc(-c2sc(-c3ccc(-c4cc(CC(=O)O)c(-c5ccc(-c6sccc6CC(=O)O)s5)s4)s3)cc2CC(=O)O)s1
InChIInChI=1S/C36H24O8S7.C26H16O8S5/c37-29(38)13-17-7-9-45-33(17)23-3-5-25(48-23)35-19(15-31(41)42)11-27(50-35)21-1-2-22(47-21)28-12-20(16-32(43)44)36(51-28)26-6-4-24(49-26)34-18(8-10-46-34)14-30(39)40;27-21(28)9-11-7-19(13-1-5-17(35-13)25(31)32)38-23(11)15-3-4-16(37-15)24-12(10-22(29)30)8-20(39-24)14-2-6-18(36-14)26(33)34/h1-12H,13-16H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44);1-8H,9-10H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)
InChIKeyTXLQTOGTDUHONA-UHFFFAOYSA-N
MW1425.79 g/mol
LogP17.94
Rot. Bonds24

About 2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid;5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-(5-carboxythiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic acid

2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid;5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-(5-carboxythiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic acid (PubChem CID 161013816) has the molecular formula C62H40O16S12 and a molecular weight of 1425.79 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]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid;5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-(5-carboxythiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic 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]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid;5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-(5-carboxythiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic acid
PubChem CID161013816
Molecular FormulaC62H40O16S12
Molecular Weight1425.79 g/mol
Exact Mass1423.90
IUPAC Name2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid;5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-(5-carboxythiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic acid
SMILESO=C(O)Cc1cc(-c2ccc(C(=O)O)s2)sc1-c1ccc(-c2sc(-c3ccc(C(=O)O)s3)cc2CC(=O)O)s1.O=C(O)Cc1ccsc1-c1ccc(-c2sc(-c3ccc(-c4cc(CC(=O)O)c(-c5ccc(-c6sccc6CC(=O)O)s5)s4)s3)cc2CC(=O)O)s1
InChIInChI=1S/C36H24O8S7.C26H16O8S5/c37-29(38)13-17-7-9-45-33(17)23-3-5-25(48-23)35-19(15-31(41)42)11-27(50-35)21-1-2-22(47-21)28-12-20(16-32(43)44)36(51-28)26-6-4-24(49-26)34-18(8-10-46-34)14-30(39)40;27-21(28)9-11-7-19(13-1-5-17(35-13)25(31)32)38-23(11)15-3-4-16(37-15)24-12(10-22(29)30)8-20(39-24)14-2-6-18(36-14)26(33)34/h1-12H,13-16H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44);1-8H,9-10H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)
InChIKeyTXLQTOGTDUHONA-UHFFFAOYSA-N
XLogP17.94
TPSA298.40 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001425.79
LogP ≤ 517.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid;5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-(5-carboxythiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic acid with MolForge

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Related Compounds

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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]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid;5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-(5-carboxythiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic 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]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid;5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-(5-carboxythiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic acid (CID 161013816) is 2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid;5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-(5-carboxythiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic 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]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid;5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-(5-carboxythiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic 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]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid;5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-(5-carboxythiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic acid is O=C(O)Cc1cc(-c2ccc(C(=O)O)s2)sc1-c1ccc(-c2sc(-c3ccc(C(=O)O)s3)cc2CC(=O)O)s1.O=C(O)Cc1ccsc1-c1ccc(-c2sc(-c3ccc(-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]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid;5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-(5-carboxythiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic acid?
The InChIKey is TXLQTOGTDUHONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24O8S7.C26H16O8S5/c37-29(38)13-17-7-9-45-33(17)23-3-5-25(48-23)35-19(15-31(41)42)11-27(50-35)21-1-2-22(47-21)28-12-20(16-32(43)44)36(51-28)26-6-4-24(49-26)34-18(8-10-46-34)14-30(39)40;27-21(28)9-11-7-19(13-1-5-17(35-13)25(31)32)38-23(11)15-3-4-16(37-15)24-12(10-22(29)30)8-20(39-24)14-2-6-18(36-14)26(33)34/h1-12H,13-16H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44);1-8H,9-10H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34).
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]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid;5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-(5-carboxythiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic acid?
2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid;5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-(5-carboxythiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic acid has a molecular weight of 1425.79 g/mol, XLogP of 17.94, 24 rotatable bonds, 8 hydrogen bond donors, and 20 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]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid;5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-(5-carboxythiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 161013816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).