diethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate

C27H26N2O4 — CID 22025388

IUPACdiethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
SMILESCCCc1c2[nH]c3ccc(C(=O)OCC)cc3c2cc2c1[nH]c1ccc(C(=O)OCC)cc12
InChIInChI=1S/C27H26N2O4/c1-4-7-17-24-20(18-12-15(26(30)32-5-2)8-10-22(18)28-24)14-21-19-13-16(27(31)33-6-3)9-11-23(19)29-25(17)21/h8-14,28-29H,4-7H2,1-3H3
InChIKeyGZAWQGJDXTVRKM-UHFFFAOYSA-N
MW442.52 g/mol
LogP6.26
Rot. Bonds6

About diethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate

diethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate (PubChem CID 22025388) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is diethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate.

Molecular Properties

Compound Namediethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
PubChem CID22025388
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Namediethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
SMILESCCCc1c2[nH]c3ccc(C(=O)OCC)cc3c2cc2c1[nH]c1ccc(C(=O)OCC)cc12
InChIInChI=1S/C27H26N2O4/c1-4-7-17-24-20(18-12-15(26(30)32-5-2)8-10-22(18)28-24)14-21-19-13-16(27(31)33-6-3)9-11-23(19)29-25(17)21/h8-14,28-29H,4-7H2,1-3H3
InChIKeyGZAWQGJDXTVRKM-UHFFFAOYSA-N
XLogP6.26
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate
CID 165353814
ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate
CID 7453721
diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
CID 123633998
2-(5-ethoxycarbonyl-2-methyl-1H-indol-3-yl)acetic acid
CID 21191839
ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 927791
2-O-ethyl 5-O-propyl 3-formyl-1H-indole-2,5-dicarboxylate
CID 82214170
ethyl 3-bromo-9-oxo-4H-furo[3,2-b]quinoline-7-carboxylate
CID 135017692
ethyl 2-methyl-3-(sulfanylmethoxy)-1H-indole-5-carboxylate
CID 57004484
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
butane;6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylic acid
CID 121473005
ethyl 4-fluorooxy-5H-pyrimido[5,4-b]indole-8-carboxylate
CID 142467597
propyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 7109613

Frequently Asked Questions

What is the IUPAC name of diethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate?
The IUPAC name of diethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate (CID 22025388) is diethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate.
What is the SMILES notation for diethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate?
The canonical SMILES for diethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate is CCCc1c2[nH]c3ccc(C(=O)OCC)cc3c2cc2c1[nH]c1ccc(C(=O)OCC)cc12.
What is the InChIKey of diethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate?
The InChIKey is GZAWQGJDXTVRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-4-7-17-24-20(18-12-15(26(30)32-5-2)8-10-22(18)28-24)14-21-19-13-16(27(31)33-6-3)9-11-23(19)29-25(17)21/h8-14,28-29H,4-7H2,1-3H3.
What are the key properties of diethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate?
diethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate has a molecular weight of 442.52 g/mol, XLogP of 6.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate is sourced from PubChem (CID 22025388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).