dibenzyl 1H-indole-3,5-dicarboxylate

C24H19NO4 — CID 11617934

IUPACdibenzyl 1H-indole-3,5-dicarboxylate
SMILESO=C(OCc1ccccc1)c1ccc2[nH]cc(C(=O)OCc3ccccc3)c2c1
InChIInChI=1S/C24H19NO4/c26-23(28-15-17-7-3-1-4-8-17)19-11-12-22-20(13-19)21(14-25-22)24(27)29-16-18-9-5-2-6-10-18/h1-14,25H,15-16H2
InChIKeyILSQMCWKLZQDAW-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.88
Rot. Bonds6

About dibenzyl 1H-indole-3,5-dicarboxylate

dibenzyl 1H-indole-3,5-dicarboxylate (PubChem CID 11617934) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is dibenzyl 1H-indole-3,5-dicarboxylate.

Molecular Properties

Compound Namedibenzyl 1H-indole-3,5-dicarboxylate
PubChem CID11617934
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Namedibenzyl 1H-indole-3,5-dicarboxylate
SMILESO=C(OCc1ccccc1)c1ccc2[nH]cc(C(=O)OCc3ccccc3)c2c1
InChIInChI=1S/C24H19NO4/c26-23(28-15-17-7-3-1-4-8-17)19-11-12-22-20(13-19)21(14-25-22)24(27)29-16-18-9-5-2-6-10-18/h1-14,25H,15-16H2
InChIKeyILSQMCWKLZQDAW-UHFFFAOYSA-N
XLogP4.88
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-cyano-1H-indole-5-carboxylate;hydroxylamine;hydrochloride
CID 158633684
ethyl 3-benzoyl-1H-indole-5-carboxylate
CID 10589798
benzyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 50888023
dibenzyl 4-aminobenzene-1,3-dicarboxylate
CID 166736545
ethyl 3-propanoyl-1H-indole-5-carboxylate
CID 170857376
benzyl 3-[(Z)-1-hydroxy-3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-oxoprop-1-enyl]-1H-indole-5-carboxylate
CID 10973246
benzyl benzoate
CID 2345
2-fluoro-4-phenylmethoxycarbonylbenzoic acid
CID 59295092
benzyl 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 12848800
dibenzyl 2-nitrobenzene-1,4-dicarboxylate
CID 162412906
benzyl 3-hydroxybenzoate
CID 11736317
2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
CID 10891912

Frequently Asked Questions

What is the IUPAC name of dibenzyl 1H-indole-3,5-dicarboxylate?
The IUPAC name of dibenzyl 1H-indole-3,5-dicarboxylate (CID 11617934) is dibenzyl 1H-indole-3,5-dicarboxylate.
What is the SMILES notation for dibenzyl 1H-indole-3,5-dicarboxylate?
The canonical SMILES for dibenzyl 1H-indole-3,5-dicarboxylate is O=C(OCc1ccccc1)c1ccc2[nH]cc(C(=O)OCc3ccccc3)c2c1.
What is the InChIKey of dibenzyl 1H-indole-3,5-dicarboxylate?
The InChIKey is ILSQMCWKLZQDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c26-23(28-15-17-7-3-1-4-8-17)19-11-12-22-20(13-19)21(14-25-22)24(27)29-16-18-9-5-2-6-10-18/h1-14,25H,15-16H2.
What are the key properties of dibenzyl 1H-indole-3,5-dicarboxylate?
dibenzyl 1H-indole-3,5-dicarboxylate has a molecular weight of 385.42 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl 1H-indole-3,5-dicarboxylate is sourced from PubChem (CID 11617934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).