ethyl 6-formyl-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate

C22H16N2O3 — CID 15418253

IUPACethyl 6-formyl-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate
SMILESCCOC(=O)c1c2[nH]c3ccccc3c2c(C=O)c2[nH]c3ccccc3c12
InChIInChI=1S/C22H16N2O3/c1-2-27-22(26)19-18-13-8-4-6-10-16(13)23-20(18)14(11-25)17-12-7-3-5-9-15(12)24-21(17)19/h3-11,23-24H,2H2,1H3
InChIKeyLJPUWRKXABVQPE-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.94
Rot. Bonds3

About ethyl 6-formyl-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate

ethyl 6-formyl-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate (PubChem CID 15418253) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is ethyl 6-formyl-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate.

Molecular Properties

Compound Nameethyl 6-formyl-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate
PubChem CID15418253
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Nameethyl 6-formyl-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate
SMILESCCOC(=O)c1c2[nH]c3ccccc3c2c(C=O)c2[nH]c3ccccc3c12
InChIInChI=1S/C22H16N2O3/c1-2-27-22(26)19-18-13-8-4-6-10-16(13)23-20(18)14(11-25)17-12-7-3-5-9-15(12)24-21(17)19/h3-11,23-24H,2H2,1H3
InChIKeyLJPUWRKXABVQPE-UHFFFAOYSA-N
XLogP4.94
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-Formylindolo(3,2-b)carbazole
CID 1863
6,7,8,9-Tetrahydro-5H-carbazole-3-carboxylic acid ethyl ester
CID 827439
methyl 7-tert-butyl-9H-carbazole-3-carboxylate
CID 46244082
diethyl 2,3,4,9-tetrahydro-1H-carbazole-1,6-dicarboxylate
CID 4314979
ethyl 9H-carbazole-3-carboxylate
CID 1935506
7-(Propan-2-yloxymethyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11(15),17,19,21-nonaen-14-one
CID 10199918
Diethyl 6-(1,1,2,2,3,3,3-heptafluoropropyl)-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
CID 16749417
methyl 9H-carbazole-1-carboxylate
CID 643304
Methyl 9H-carbazole-2-carboxylate
CID 11299083
Methyl 5-[(E)-1,2-diphenylethenyl]-9H-carbazole-3-carboxylate
CID 11618315
6H-2-N-hydroxymethyl-5-ethoxycarbonyl-pyrrolo-[3,4-c]carbazole-1,3-dione
CID 24813540
Methyl 8-oxo-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-15-carboxylate
CID 44408243

Frequently Asked Questions

What is the IUPAC name of ethyl 6-formyl-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate?
The IUPAC name of ethyl 6-formyl-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate (CID 15418253) is ethyl 6-formyl-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate.
What is the SMILES notation for ethyl 6-formyl-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate?
The canonical SMILES for ethyl 6-formyl-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate is CCOC(=O)c1c2[nH]c3ccccc3c2c(C=O)c2[nH]c3ccccc3c12.
What is the InChIKey of ethyl 6-formyl-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate?
The InChIKey is LJPUWRKXABVQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c1-2-27-22(26)19-18-13-8-4-6-10-16(13)23-20(18)14(11-25)17-12-7-3-5-9-15(12)24-21(17)19/h3-11,23-24H,2H2,1H3.
What are the key properties of ethyl 6-formyl-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate?
ethyl 6-formyl-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate has a molecular weight of 356.38 g/mol, XLogP of 4.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-formyl-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate is sourced from PubChem (CID 15418253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).