5-methoxy-12-methyl-5H-indolo[2,3-a]carbazole-6-carbonitrile

C21H15N3O — CID 146680999

IUPAC5-methoxy-12-methyl-5H-indolo[2,3-a]carbazole-6-carbonitrile
SMILESCOC1C(C#N)=C2C(=Nc3ccccc32)c2c1c1ccccc1n2C
InChIInChI=1S/C21H15N3O/c1-24-16-10-6-4-8-13(16)18-20(24)19-17(14(11-22)21(18)25-2)12-7-3-5-9-15(12)23-19/h3-10,21H,1-2H3
InChIKeyPWZNZBSSOBTMSH-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.29
Rot. Bonds1

About 5-methoxy-12-methyl-5H-indolo[2,3-a]carbazole-6-carbonitrile

5-methoxy-12-methyl-5H-indolo[2,3-a]carbazole-6-carbonitrile (PubChem CID 146680999) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-methoxy-12-methyl-5H-indolo[2,3-a]carbazole-6-carbonitrile.

Molecular Properties

Compound Name5-methoxy-12-methyl-5H-indolo[2,3-a]carbazole-6-carbonitrile
PubChem CID146680999
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name5-methoxy-12-methyl-5H-indolo[2,3-a]carbazole-6-carbonitrile
SMILESCOC1C(C#N)=C2C(=Nc3ccccc32)c2c1c1ccccc1n2C
InChIInChI=1S/C21H15N3O/c1-24-16-10-6-4-8-13(16)18-20(24)19-17(14(11-22)21(18)25-2)12-7-3-5-9-15(12)23-19/h3-10,21H,1-2H3
InChIKeyPWZNZBSSOBTMSH-UHFFFAOYSA-N
XLogP4.29
TPSA50.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-12-methyl-5H-indolo[2,3-a]carbazole-6-carbonitrile?
The IUPAC name of 5-methoxy-12-methyl-5H-indolo[2,3-a]carbazole-6-carbonitrile (CID 146680999) is 5-methoxy-12-methyl-5H-indolo[2,3-a]carbazole-6-carbonitrile.
What is the SMILES notation for 5-methoxy-12-methyl-5H-indolo[2,3-a]carbazole-6-carbonitrile?
The canonical SMILES for 5-methoxy-12-methyl-5H-indolo[2,3-a]carbazole-6-carbonitrile is COC1C(C#N)=C2C(=Nc3ccccc32)c2c1c1ccccc1n2C.
What is the InChIKey of 5-methoxy-12-methyl-5H-indolo[2,3-a]carbazole-6-carbonitrile?
The InChIKey is PWZNZBSSOBTMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c1-24-16-10-6-4-8-13(16)18-20(24)19-17(14(11-22)21(18)25-2)12-7-3-5-9-15(12)23-19/h3-10,21H,1-2H3.
What are the key properties of 5-methoxy-12-methyl-5H-indolo[2,3-a]carbazole-6-carbonitrile?
5-methoxy-12-methyl-5H-indolo[2,3-a]carbazole-6-carbonitrile has a molecular weight of 325.37 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-12-methyl-5H-indolo[2,3-a]carbazole-6-carbonitrile is sourced from PubChem (CID 146680999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).