dimethyl 2-(3,6-dichlorocarbazol-9-yl)benzene-1,3-dicarboxylate

C22H15Cl2NO4 — CID 175211913

IUPACdimethyl 2-(3,6-dichlorocarbazol-9-yl)benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cccc(C(=O)OC)c1-n1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C22H15Cl2NO4/c1-28-21(26)14-4-3-5-15(22(27)29-2)20(14)25-18-8-6-12(23)10-16(18)17-11-13(24)7-9-19(17)25/h3-11H,1-2H3
InChIKeyODMHUWKQIKBGIT-UHFFFAOYSA-N
MW428.27 g/mol
LogP5.66
Rot. Bonds3

About dimethyl 2-(3,6-dichlorocarbazol-9-yl)benzene-1,3-dicarboxylate

dimethyl 2-(3,6-dichlorocarbazol-9-yl)benzene-1,3-dicarboxylate (PubChem CID 175211913) has the molecular formula C22H15Cl2NO4 and a molecular weight of 428.27 g/mol. Its IUPAC name is dimethyl 2-(3,6-dichlorocarbazol-9-yl)benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(3,6-dichlorocarbazol-9-yl)benzene-1,3-dicarboxylate
PubChem CID175211913
Molecular FormulaC22H15Cl2NO4
Molecular Weight428.27 g/mol
Exact Mass427.04
IUPAC Namedimethyl 2-(3,6-dichlorocarbazol-9-yl)benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cccc(C(=O)OC)c1-n1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C22H15Cl2NO4/c1-28-21(26)14-4-3-5-15(22(27)29-2)20(14)25-18-8-6-12(23)10-16(18)17-11-13(24)7-9-19(17)25/h3-11H,1-2H3
InChIKeyODMHUWKQIKBGIT-UHFFFAOYSA-N
XLogP5.66
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.27
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dimethyl 2-(3,6-dichlorocarbazol-9-yl)benzene-1,3-dicarboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(3,6-dichlorocarbazol-9-yl)benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 2-(3,6-dichlorocarbazol-9-yl)benzene-1,3-dicarboxylate (CID 175211913) is dimethyl 2-(3,6-dichlorocarbazol-9-yl)benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 2-(3,6-dichlorocarbazol-9-yl)benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 2-(3,6-dichlorocarbazol-9-yl)benzene-1,3-dicarboxylate is COC(=O)c1cccc(C(=O)OC)c1-n1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of dimethyl 2-(3,6-dichlorocarbazol-9-yl)benzene-1,3-dicarboxylate?
The InChIKey is ODMHUWKQIKBGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2NO4/c1-28-21(26)14-4-3-5-15(22(27)29-2)20(14)25-18-8-6-12(23)10-16(18)17-11-13(24)7-9-19(17)25/h3-11H,1-2H3.
What are the key properties of dimethyl 2-(3,6-dichlorocarbazol-9-yl)benzene-1,3-dicarboxylate?
dimethyl 2-(3,6-dichlorocarbazol-9-yl)benzene-1,3-dicarboxylate has a molecular weight of 428.27 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(3,6-dichlorocarbazol-9-yl)benzene-1,3-dicarboxylate is sourced from PubChem (CID 175211913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).