2,5-bis(1H-indole-2-carbonyl)terephthalic acid

C26H16N2O6 — CID 70529357

IUPAC2,5-bis(1H-indole-2-carbonyl)terephthalic acid
SMILESO=C(O)c1cc(C(=O)c2cc3ccccc3[nH]2)c(C(=O)O)cc1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C26H16N2O6/c29-23(21-9-13-5-1-3-7-19(13)27-21)15-11-18(26(33)34)16(12-17(15)25(31)32)24(30)22-10-14-6-2-4-8-20(14)28-22/h1-12,27-28H,(H,31,32)(H,33,34)
InChIKeyHCNFJRFADZANPJ-UHFFFAOYSA-N
MW452.42 g/mol
LogP4.51
Rot. Bonds6

About 2,5-bis(1H-indole-2-carbonyl)terephthalic acid

2,5-bis(1H-indole-2-carbonyl)terephthalic acid (PubChem CID 70529357) has the molecular formula C26H16N2O6 and a molecular weight of 452.42 g/mol. Its IUPAC name is 2,5-bis(1H-indole-2-carbonyl)terephthalic acid.

Molecular Properties

Compound Name2,5-bis(1H-indole-2-carbonyl)terephthalic acid
PubChem CID70529357
Molecular FormulaC26H16N2O6
Molecular Weight452.42 g/mol
Exact Mass452.10
IUPAC Name2,5-bis(1H-indole-2-carbonyl)terephthalic acid
SMILESO=C(O)c1cc(C(=O)c2cc3ccccc3[nH]2)c(C(=O)O)cc1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C26H16N2O6/c29-23(21-9-13-5-1-3-7-19(13)27-21)15-11-18(26(33)34)16(12-17(15)25(31)32)24(30)22-10-14-6-2-4-8-20(14)28-22/h1-12,27-28H,(H,31,32)(H,33,34)
InChIKeyHCNFJRFADZANPJ-UHFFFAOYSA-N
XLogP4.51
TPSA140.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.42
LogP ≤ 54.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1H-indole-2-carboxylic acid
CID 91052830
2-(1H-indole-2-carbonyl)pyridine-3-carboxylic acid
CID 14398692
1H-indole-2-carbothioic S-acid
CID 4713092
cyclohexa-3,5-diene-1,2-dione;1H-indole-2-carboxylic acid
CID 22129260
1-[4-(1H-indole-2-carbonyl)phenyl]ethanone
CID 139733709
1H-indol-2-yl(thiophen-2-yl)methanone
CID 102431205
5-(1H-indole-2-carbonylamino)-1H-pyrazole-4-carboxylic acid
CID 110481756
2-hydroxy-5-(1H-indole-2-carbonylamino)benzoic acid
CID 43823296
(E)-4-(1H-indol-2-yl)-4-oxobut-2-enoic acid
CID 12618365
1-benzothiophen-2-yl(1H-indol-2-yl)methanone
CID 134955887
2-[2-(1H-indol-2-yl)-1,2-diphenylethenyl]-1H-indole
CID 141243954
5-fluoro-2-(1H-indole-2-carbonylamino)benzoic acid
CID 43823307

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(1H-indole-2-carbonyl)terephthalic acid?
The IUPAC name of 2,5-bis(1H-indole-2-carbonyl)terephthalic acid (CID 70529357) is 2,5-bis(1H-indole-2-carbonyl)terephthalic acid.
What is the SMILES notation for 2,5-bis(1H-indole-2-carbonyl)terephthalic acid?
The canonical SMILES for 2,5-bis(1H-indole-2-carbonyl)terephthalic acid is O=C(O)c1cc(C(=O)c2cc3ccccc3[nH]2)c(C(=O)O)cc1C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of 2,5-bis(1H-indole-2-carbonyl)terephthalic acid?
The InChIKey is HCNFJRFADZANPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2O6/c29-23(21-9-13-5-1-3-7-19(13)27-21)15-11-18(26(33)34)16(12-17(15)25(31)32)24(30)22-10-14-6-2-4-8-20(14)28-22/h1-12,27-28H,(H,31,32)(H,33,34).
What are the key properties of 2,5-bis(1H-indole-2-carbonyl)terephthalic acid?
2,5-bis(1H-indole-2-carbonyl)terephthalic acid has a molecular weight of 452.42 g/mol, XLogP of 4.51, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(1H-indole-2-carbonyl)terephthalic acid is sourced from PubChem (CID 70529357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).