5-methoxy-11,12-dimethylindolo[2,3-a]carbazole-6-carbonitrile

C22H17N3O — CID 11724766

IUPAC5-methoxy-11,12-dimethylindolo[2,3-a]carbazole-6-carbonitrile
SMILESCOc1c(C#N)c2c3ccccc3n(C)c2c2c1c1ccccc1n2C
InChIInChI=1S/C22H17N3O/c1-24-16-10-6-4-8-13(16)18-15(12-23)22(26-3)19-14-9-5-7-11-17(14)25(2)21(19)20(18)24/h4-11H,1-3H3
InChIKeyUFIHWURLCQKAPG-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.86
Rot. Bonds1

About 5-methoxy-11,12-dimethylindolo[2,3-a]carbazole-6-carbonitrile

5-methoxy-11,12-dimethylindolo[2,3-a]carbazole-6-carbonitrile (PubChem CID 11724766) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-methoxy-11,12-dimethylindolo[2,3-a]carbazole-6-carbonitrile.

Molecular Properties

Compound Name5-methoxy-11,12-dimethylindolo[2,3-a]carbazole-6-carbonitrile
PubChem CID11724766
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name5-methoxy-11,12-dimethylindolo[2,3-a]carbazole-6-carbonitrile
SMILESCOc1c(C#N)c2c3ccccc3n(C)c2c2c1c1ccccc1n2C
InChIInChI=1S/C22H17N3O/c1-24-16-10-6-4-8-13(16)18-15(12-23)22(26-3)19-14-9-5-7-11-17(14)25(2)21(19)20(18)24/h4-11H,1-3H3
InChIKeyUFIHWURLCQKAPG-UHFFFAOYSA-N
XLogP4.86
TPSA42.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-11,12-dimethylindolo[2,3-a]carbazole-6-carbonitrile?
The IUPAC name of 5-methoxy-11,12-dimethylindolo[2,3-a]carbazole-6-carbonitrile (CID 11724766) is 5-methoxy-11,12-dimethylindolo[2,3-a]carbazole-6-carbonitrile.
What is the SMILES notation for 5-methoxy-11,12-dimethylindolo[2,3-a]carbazole-6-carbonitrile?
The canonical SMILES for 5-methoxy-11,12-dimethylindolo[2,3-a]carbazole-6-carbonitrile is COc1c(C#N)c2c3ccccc3n(C)c2c2c1c1ccccc1n2C.
What is the InChIKey of 5-methoxy-11,12-dimethylindolo[2,3-a]carbazole-6-carbonitrile?
The InChIKey is UFIHWURLCQKAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-24-16-10-6-4-8-13(16)18-15(12-23)22(26-3)19-14-9-5-7-11-17(14)25(2)21(19)20(18)24/h4-11H,1-3H3.
What are the key properties of 5-methoxy-11,12-dimethylindolo[2,3-a]carbazole-6-carbonitrile?
5-methoxy-11,12-dimethylindolo[2,3-a]carbazole-6-carbonitrile has a molecular weight of 339.40 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-11,12-dimethylindolo[2,3-a]carbazole-6-carbonitrile is sourced from PubChem (CID 11724766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).