3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole

C19H13ClN2O — CID 10758096

IUPAC3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole
SMILESCOc1ccc2[nH]c3c(ccc4c5cc(Cl)ccc5[nH]c43)c2c1
InChIInChI=1S/C19H13ClN2O/c1-23-11-3-7-17-15(9-11)13-5-4-12-14-8-10(20)2-6-16(14)21-18(12)19(13)22-17/h2-9,21-22H,1H3
InChIKeyWCLJEEUUKWIFMF-UHFFFAOYSA-N
MW320.78 g/mol
LogP5.62
Rot. Bonds1

About 3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole

3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole (PubChem CID 10758096) has the molecular formula C19H13ClN2O and a molecular weight of 320.78 g/mol. Its IUPAC name is 3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole.

Molecular Properties

Compound Name3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole
PubChem CID10758096
Molecular FormulaC19H13ClN2O
Molecular Weight320.78 g/mol
Exact Mass320.07
IUPAC Name3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole
SMILESCOc1ccc2[nH]c3c(ccc4c5cc(Cl)ccc5[nH]c43)c2c1
InChIInChI=1S/C19H13ClN2O/c1-23-11-3-7-17-15(9-11)13-5-4-12-14-8-10(20)2-6-16(14)21-18(12)19(13)22-17/h2-9,21-22H,1H3
InChIKeyWCLJEEUUKWIFMF-UHFFFAOYSA-N
XLogP5.62
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.78
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole?
The IUPAC name of 3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole (CID 10758096) is 3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole.
What is the SMILES notation for 3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole?
The canonical SMILES for 3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole is COc1ccc2[nH]c3c(ccc4c5cc(Cl)ccc5[nH]c43)c2c1.
What is the InChIKey of 3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole?
The InChIKey is WCLJEEUUKWIFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O/c1-23-11-3-7-17-15(9-11)13-5-4-12-14-8-10(20)2-6-16(14)21-18(12)19(13)22-17/h2-9,21-22H,1H3.
What are the key properties of 3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole?
3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole has a molecular weight of 320.78 g/mol, XLogP of 5.62, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole is sourced from PubChem (CID 10758096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).