diindol-1-yl carbonate

C17H12N2O3 — CID 154640293

IUPACdiindol-1-yl carbonate
SMILESO=C(On1ccc2ccccc21)On1ccc2ccccc21
InChIInChI=1S/C17H12N2O3/c20-17(21-18-11-9-13-5-1-3-7-15(13)18)22-19-12-10-14-6-2-4-8-16(14)19/h1-12H
InChIKeySEYHZCDVXSUCAM-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.27
Rot. Bonds2

About diindol-1-yl carbonate

diindol-1-yl carbonate (PubChem CID 154640293) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is diindol-1-yl carbonate.

Molecular Properties

Compound Namediindol-1-yl carbonate
PubChem CID154640293
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Namediindol-1-yl carbonate
SMILESO=C(On1ccc2ccccc21)On1ccc2ccccc21
InChIInChI=1S/C17H12N2O3/c20-17(21-18-11-9-13-5-1-3-7-15(13)18)22-19-12-10-14-6-2-4-8-16(14)19/h1-12H
InChIKeySEYHZCDVXSUCAM-UHFFFAOYSA-N
XLogP3.27
TPSA45.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

butyl indol-1-yl carbonate
CID 67701904
indol-1-yl 2-bromo-2-methylpropanoate
CID 175398791
O-indol-1-ylhydroxylamine
CID 57016853
ethyl 2-indol-1-yloxyacetate
CID 19786741
tert-butyl pyrrolo[2,3-c]pyridin-1-yl carbonate
CID 68729730
bis(benzimidazol-1-yl) carbonate
CID 57193653
1-(4-chlorophenyl)-2-indol-1-yloxyethanone
CID 70134400
3-cyano-4-indol-1-yloxybenzoic acid
CID 151152888
fluoro indole-1-carboxylate
CID 129249849
1-indol-1-ylethanone;hydrochloride
CID 21333501
tert-butyl indazol-1-yl carbonate
CID 68841004
1-(4-bromobutoxy)indole
CID 175976502

Frequently Asked Questions

What is the IUPAC name of diindol-1-yl carbonate?
The IUPAC name of diindol-1-yl carbonate (CID 154640293) is diindol-1-yl carbonate.
What is the SMILES notation for diindol-1-yl carbonate?
The canonical SMILES for diindol-1-yl carbonate is O=C(On1ccc2ccccc21)On1ccc2ccccc21.
What is the InChIKey of diindol-1-yl carbonate?
The InChIKey is SEYHZCDVXSUCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-17(21-18-11-9-13-5-1-3-7-15(13)18)22-19-12-10-14-6-2-4-8-16(14)19/h1-12H.
What are the key properties of diindol-1-yl carbonate?
diindol-1-yl carbonate has a molecular weight of 292.29 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diindol-1-yl carbonate is sourced from PubChem (CID 154640293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).