5-[(E)-2-[2-[6-[4-[(E)-2-(5-carboxythiophen-2-yl)ethenyl]-2-pyridinyl]-4-methyl-2-pyridinyl]-4-pyridinyl]ethenyl]thiophene-2-carboxylic acid

C30H21N3O4S2 — CID 59288317

IUPAC5-[(E)-2-[2-[6-[4-[(E)-2-(5-carboxythiophen-2-yl)ethenyl]-2-pyridinyl]-4-methyl-2-pyridinyl]-4-pyridinyl]ethenyl]thiophene-2-carboxylic acid
SMILESCc1cc(-c2cc(/C=C/c3ccc(C(=O)O)s3)ccn2)nc(-c2cc(/C=C/c3ccc(C(=O)O)s3)ccn2)c1
InChIInChI=1S/C30H21N3O4S2/c1-18-14-25(23-16-19(10-12-31-23)2-4-21-6-8-27(38-21)29(34)35)33-26(15-18)24-17-20(11-13-32-24)3-5-22-7-9-28(39-22)30(36)37/h2-17H,1H3,(H,34,35)(H,36,37)/b4-2+,5-3+
InChIKeyZTZCDSGHCRDSSU-ZUVMSYQZSA-N
MW551.65 g/mol
LogP7.37
Rot. Bonds8

About 5-[(E)-2-[2-[6-[4-[(E)-2-(5-carboxythiophen-2-yl)ethenyl]-2-pyridinyl]-4-methyl-2-pyridinyl]-4-pyridinyl]ethenyl]thiophene-2-carboxylic acid

5-[(E)-2-[2-[6-[4-[(E)-2-(5-carboxythiophen-2-yl)ethenyl]-2-pyridinyl]-4-methyl-2-pyridinyl]-4-pyridinyl]ethenyl]thiophene-2-carboxylic acid (PubChem CID 59288317) has the molecular formula C30H21N3O4S2 and a molecular weight of 551.65 g/mol. Its IUPAC name is 5-[(E)-2-[2-[6-[4-[(E)-2-(5-carboxythiophen-2-yl)ethenyl]-2-pyridinyl]-4-methyl-2-pyridinyl]-4-pyridinyl]ethenyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(E)-2-[2-[6-[4-[(E)-2-(5-carboxythiophen-2-yl)ethenyl]-2-pyridinyl]-4-methyl-2-pyridinyl]-4-pyridinyl]ethenyl]thiophene-2-carboxylic acid
PubChem CID59288317
Molecular FormulaC30H21N3O4S2
Molecular Weight551.65 g/mol
Exact Mass551.10
IUPAC Name5-[(E)-2-[2-[6-[4-[(E)-2-(5-carboxythiophen-2-yl)ethenyl]-2-pyridinyl]-4-methyl-2-pyridinyl]-4-pyridinyl]ethenyl]thiophene-2-carboxylic acid
SMILESCc1cc(-c2cc(/C=C/c3ccc(C(=O)O)s3)ccn2)nc(-c2cc(/C=C/c3ccc(C(=O)O)s3)ccn2)c1
InChIInChI=1S/C30H21N3O4S2/c1-18-14-25(23-16-19(10-12-31-23)2-4-21-6-8-27(38-21)29(34)35)33-26(15-18)24-17-20(11-13-32-24)3-5-22-7-9-28(39-22)30(36)37/h2-17H,1H3,(H,34,35)(H,36,37)/b4-2+,5-3+
InChIKeyZTZCDSGHCRDSSU-ZUVMSYQZSA-N
XLogP7.37
TPSA113.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[(E)-2-[2-[6-[4-[(E)-2-(5-carboxythiophen-2-yl)ethenyl]-2-pyridinyl]-4-methyl-2-pyridinyl]-4-pyridinyl]ethenyl]thiophene-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[2-[6-[4-[(E)-2-(5-carboxythiophen-2-yl)ethenyl]-2-pyridinyl]-4-methyl-2-pyridinyl]-4-pyridinyl]ethenyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(E)-2-[2-[6-[4-[(E)-2-(5-carboxythiophen-2-yl)ethenyl]-2-pyridinyl]-4-methyl-2-pyridinyl]-4-pyridinyl]ethenyl]thiophene-2-carboxylic acid (CID 59288317) is 5-[(E)-2-[2-[6-[4-[(E)-2-(5-carboxythiophen-2-yl)ethenyl]-2-pyridinyl]-4-methyl-2-pyridinyl]-4-pyridinyl]ethenyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(E)-2-[2-[6-[4-[(E)-2-(5-carboxythiophen-2-yl)ethenyl]-2-pyridinyl]-4-methyl-2-pyridinyl]-4-pyridinyl]ethenyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(E)-2-[2-[6-[4-[(E)-2-(5-carboxythiophen-2-yl)ethenyl]-2-pyridinyl]-4-methyl-2-pyridinyl]-4-pyridinyl]ethenyl]thiophene-2-carboxylic acid is Cc1cc(-c2cc(/C=C/c3ccc(C(=O)O)s3)ccn2)nc(-c2cc(/C=C/c3ccc(C(=O)O)s3)ccn2)c1.
What is the InChIKey of 5-[(E)-2-[2-[6-[4-[(E)-2-(5-carboxythiophen-2-yl)ethenyl]-2-pyridinyl]-4-methyl-2-pyridinyl]-4-pyridinyl]ethenyl]thiophene-2-carboxylic acid?
The InChIKey is ZTZCDSGHCRDSSU-ZUVMSYQZSA-N. The full InChI is InChI=1S/C30H21N3O4S2/c1-18-14-25(23-16-19(10-12-31-23)2-4-21-6-8-27(38-21)29(34)35)33-26(15-18)24-17-20(11-13-32-24)3-5-22-7-9-28(39-22)30(36)37/h2-17H,1H3,(H,34,35)(H,36,37)/b4-2+,5-3+.
What are the key properties of 5-[(E)-2-[2-[6-[4-[(E)-2-(5-carboxythiophen-2-yl)ethenyl]-2-pyridinyl]-4-methyl-2-pyridinyl]-4-pyridinyl]ethenyl]thiophene-2-carboxylic acid?
5-[(E)-2-[2-[6-[4-[(E)-2-(5-carboxythiophen-2-yl)ethenyl]-2-pyridinyl]-4-methyl-2-pyridinyl]-4-pyridinyl]ethenyl]thiophene-2-carboxylic acid has a molecular weight of 551.65 g/mol, XLogP of 7.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[2-[6-[4-[(E)-2-(5-carboxythiophen-2-yl)ethenyl]-2-pyridinyl]-4-methyl-2-pyridinyl]-4-pyridinyl]ethenyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 59288317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).