diethyl 5,11-dihydroindolo[3,2-b]carbazole-6,12-dicarboxylate

C24H20N2O4 — CID 15418256

IUPACdiethyl 5,11-dihydroindolo[3,2-b]carbazole-6,12-dicarboxylate
SMILESCCOC(=O)c1c2[nH]c3ccccc3c2c(C(=O)OCC)c2[nH]c3ccccc3c12
InChIInChI=1S/C24H20N2O4/c1-3-29-23(27)19-17-13-9-5-7-11-15(13)26-22(17)20(24(28)30-4-2)18-14-10-6-8-12-16(14)25-21(18)19/h5-12,25-26H,3-4H2,1-2H3
InChIKeyQBNZGDQXBCQKFX-UHFFFAOYSA-N
MW400.43 g/mol
LogP5.31
Rot. Bonds4

About diethyl 5,11-dihydroindolo[3,2-b]carbazole-6,12-dicarboxylate

diethyl 5,11-dihydroindolo[3,2-b]carbazole-6,12-dicarboxylate (PubChem CID 15418256) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is diethyl 5,11-dihydroindolo[3,2-b]carbazole-6,12-dicarboxylate.

Molecular Properties

Compound Namediethyl 5,11-dihydroindolo[3,2-b]carbazole-6,12-dicarboxylate
PubChem CID15418256
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Namediethyl 5,11-dihydroindolo[3,2-b]carbazole-6,12-dicarboxylate
SMILESCCOC(=O)c1c2[nH]c3ccccc3c2c(C(=O)OCC)c2[nH]c3ccccc3c12
InChIInChI=1S/C24H20N2O4/c1-3-29-23(27)19-17-13-9-5-7-11-15(13)26-22(17)20(24(28)30-4-2)18-14-10-6-8-12-16(14)25-21(18)19/h5-12,25-26H,3-4H2,1-2H3
InChIKeyQBNZGDQXBCQKFX-UHFFFAOYSA-N
XLogP5.31
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl Carbazole-3-Carboxylate
CID 504069
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
(2S)-2-tert-butoxy-2-[1,4-dimethyl-3-(p-tolyl)-9H-carbazol-2-yl]acetic acid
CID 118583807
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

Frequently Asked Questions

What is the IUPAC name of diethyl 5,11-dihydroindolo[3,2-b]carbazole-6,12-dicarboxylate?
The IUPAC name of diethyl 5,11-dihydroindolo[3,2-b]carbazole-6,12-dicarboxylate (CID 15418256) is diethyl 5,11-dihydroindolo[3,2-b]carbazole-6,12-dicarboxylate.
What is the SMILES notation for diethyl 5,11-dihydroindolo[3,2-b]carbazole-6,12-dicarboxylate?
The canonical SMILES for diethyl 5,11-dihydroindolo[3,2-b]carbazole-6,12-dicarboxylate is CCOC(=O)c1c2[nH]c3ccccc3c2c(C(=O)OCC)c2[nH]c3ccccc3c12.
What is the InChIKey of diethyl 5,11-dihydroindolo[3,2-b]carbazole-6,12-dicarboxylate?
The InChIKey is QBNZGDQXBCQKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-3-29-23(27)19-17-13-9-5-7-11-15(13)26-22(17)20(24(28)30-4-2)18-14-10-6-8-12-16(14)25-21(18)19/h5-12,25-26H,3-4H2,1-2H3.
What are the key properties of diethyl 5,11-dihydroindolo[3,2-b]carbazole-6,12-dicarboxylate?
diethyl 5,11-dihydroindolo[3,2-b]carbazole-6,12-dicarboxylate has a molecular weight of 400.43 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5,11-dihydroindolo[3,2-b]carbazole-6,12-dicarboxylate is sourced from PubChem (CID 15418256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).