methyl 10-bromo-5,12-dihydroindolo[3,2-c]carbazole-6-carboxylate

C20H13BrN2O2 — CID 102593234

IUPACmethyl 10-bromo-5,12-dihydroindolo[3,2-c]carbazole-6-carboxylate
SMILESCOC(=O)c1cc2c3ccc(Br)cc3[nH]c2c2c1[nH]c1ccccc12
InChIInChI=1S/C20H13BrN2O2/c1-25-20(24)14-9-13-11-7-6-10(21)8-16(11)23-18(13)17-12-4-2-3-5-15(12)22-19(14)17/h2-9,22-23H,1H3
InChIKeyBBEMUEQRSBTFGQ-UHFFFAOYSA-N
MW393.24 g/mol
LogP5.50
Rot. Bonds1

About methyl 10-bromo-5,12-dihydroindolo[3,2-c]carbazole-6-carboxylate

methyl 10-bromo-5,12-dihydroindolo[3,2-c]carbazole-6-carboxylate (PubChem CID 102593234) has the molecular formula C20H13BrN2O2 and a molecular weight of 393.24 g/mol. Its IUPAC name is methyl 10-bromo-5,12-dihydroindolo[3,2-c]carbazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 10-bromo-5,12-dihydroindolo[3,2-c]carbazole-6-carboxylate
PubChem CID102593234
Molecular FormulaC20H13BrN2O2
Molecular Weight393.24 g/mol
Exact Mass392.02
IUPAC Namemethyl 10-bromo-5,12-dihydroindolo[3,2-c]carbazole-6-carboxylate
SMILESCOC(=O)c1cc2c3ccc(Br)cc3[nH]c2c2c1[nH]c1ccccc12
InChIInChI=1S/C20H13BrN2O2/c1-25-20(24)14-9-13-11-7-6-10(21)8-16(11)23-18(13)17-12-4-2-3-5-15(12)22-19(14)17/h2-9,22-23H,1H3
InChIKeyBBEMUEQRSBTFGQ-UHFFFAOYSA-N
XLogP5.50
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.24
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze methyl 10-bromo-5,12-dihydroindolo[3,2-c]carbazole-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate
CID 10593388
dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
CID 132503759
methyl 2-bromo-5H-pyrido[3,2-b]indole-4-carboxylate
CID 141272509
tert-butyl 3-bromo-9H-carbazole-1-carboxylate
CID 139799054
methyl 2-formyl-5H-pyrido[3,2-b]indole-4-carboxylate
CID 141272491
9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate
CID 175444407
N-[2-(dimethylamino)ethyl]-N-methyl-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide
CID 155529478
methyl 4-(1H-indol-3-yl)-9H-carbazole-1-carboxylate
CID 631008
methyl 9H-pyrido[3,4-b]indole-4-carboxylate
CID 11345149
methyl 1-(3,4-dimethoxyphenyl)-9H-carbazole-2-carboxylate
CID 150364727
methyl 3-bromophenanthrene-9-carboxylate
CID 15646920
methyl 4-bromo-2-(1H-indol-2-yl)benzoate
CID 150817148

Frequently Asked Questions

What is the IUPAC name of methyl 10-bromo-5,12-dihydroindolo[3,2-c]carbazole-6-carboxylate?
The IUPAC name of methyl 10-bromo-5,12-dihydroindolo[3,2-c]carbazole-6-carboxylate (CID 102593234) is methyl 10-bromo-5,12-dihydroindolo[3,2-c]carbazole-6-carboxylate.
What is the SMILES notation for methyl 10-bromo-5,12-dihydroindolo[3,2-c]carbazole-6-carboxylate?
The canonical SMILES for methyl 10-bromo-5,12-dihydroindolo[3,2-c]carbazole-6-carboxylate is COC(=O)c1cc2c3ccc(Br)cc3[nH]c2c2c1[nH]c1ccccc12.
What is the InChIKey of methyl 10-bromo-5,12-dihydroindolo[3,2-c]carbazole-6-carboxylate?
The InChIKey is BBEMUEQRSBTFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN2O2/c1-25-20(24)14-9-13-11-7-6-10(21)8-16(11)23-18(13)17-12-4-2-3-5-15(12)22-19(14)17/h2-9,22-23H,1H3.
What are the key properties of methyl 10-bromo-5,12-dihydroindolo[3,2-c]carbazole-6-carboxylate?
methyl 10-bromo-5,12-dihydroindolo[3,2-c]carbazole-6-carboxylate has a molecular weight of 393.24 g/mol, XLogP of 5.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-bromo-5,12-dihydroindolo[3,2-c]carbazole-6-carboxylate is sourced from PubChem (CID 102593234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).