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

C27H24N2O7 — CID 11569374

IUPACdiethyl 6-ethoxycarbonyloxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
SMILESCCOC(=O)Oc1c2[nH]c3ccc(C(=O)OCC)cc3c2cc2c1[nH]c1ccc(C(=O)OCC)cc12
InChIInChI=1S/C27H24N2O7/c1-4-33-25(30)14-7-9-20-16(11-14)18-13-19-17-12-15(26(31)34-5-2)8-10-21(17)29-23(19)24(22(18)28-20)36-27(32)35-6-3/h7-13,28-29H,4-6H2,1-3H3
InChIKeyMDYMYIMXJDBOSA-UHFFFAOYSA-N
MW488.50 g/mol
LogP5.84
Rot. Bonds6

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

diethyl 6-ethoxycarbonyloxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate (PubChem CID 11569374) has the molecular formula C27H24N2O7 and a molecular weight of 488.50 g/mol. Its IUPAC name is diethyl 6-ethoxycarbonyloxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate.

Molecular Properties

Compound Namediethyl 6-ethoxycarbonyloxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
PubChem CID11569374
Molecular FormulaC27H24N2O7
Molecular Weight488.50 g/mol
Exact Mass488.16
IUPAC Namediethyl 6-ethoxycarbonyloxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
SMILESCCOC(=O)Oc1c2[nH]c3ccc(C(=O)OCC)cc3c2cc2c1[nH]c1ccc(C(=O)OCC)cc12
InChIInChI=1S/C27H24N2O7/c1-4-33-25(30)14-7-9-20-16(11-14)18-13-19-17-12-15(26(31)34-5-2)8-10-21(17)29-23(19)24(22(18)28-20)36-27(32)35-6-3/h7-13,28-29H,4-6H2,1-3H3
InChIKeyMDYMYIMXJDBOSA-UHFFFAOYSA-N
XLogP5.84
TPSA119.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.50
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 6-ethoxycarbonyloxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate?
The IUPAC name of diethyl 6-ethoxycarbonyloxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate (CID 11569374) is diethyl 6-ethoxycarbonyloxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate.
What is the SMILES notation for diethyl 6-ethoxycarbonyloxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate?
The canonical SMILES for diethyl 6-ethoxycarbonyloxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate is CCOC(=O)Oc1c2[nH]c3ccc(C(=O)OCC)cc3c2cc2c1[nH]c1ccc(C(=O)OCC)cc12.
What is the InChIKey of diethyl 6-ethoxycarbonyloxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate?
The InChIKey is MDYMYIMXJDBOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O7/c1-4-33-25(30)14-7-9-20-16(11-14)18-13-19-17-12-15(26(31)34-5-2)8-10-21(17)29-23(19)24(22(18)28-20)36-27(32)35-6-3/h7-13,28-29H,4-6H2,1-3H3.
What are the key properties of diethyl 6-ethoxycarbonyloxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate?
diethyl 6-ethoxycarbonyloxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate has a molecular weight of 488.50 g/mol, XLogP of 5.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 6-ethoxycarbonyloxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate is sourced from PubChem (CID 11569374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).