6-(5,11-dimethylpyrido[3,4-b]carbazol-2-yl)hexanenitrile

C23H23N3 — CID 102343630

IUPAC6-(5,11-dimethylpyrido[3,4-b]carbazol-2-yl)hexanenitrile
SMILESCc1c2cn(CCCCCC#N)ccc2c(C)c2c1nc1ccccc12
InChIInChI=1S/C23H23N3/c1-16-18-11-14-26(13-8-4-3-7-12-24)15-20(18)17(2)23-22(16)19-9-5-6-10-21(19)25-23/h5-6,9-11,14-15H,3-4,7-8,13H2,1-2H3
InChIKeyZASLALAJEOJESP-UHFFFAOYSA-N
MW341.46 g/mol
LogP6.04
Rot. Bonds5

About 6-(5,11-dimethylpyrido[3,4-b]carbazol-2-yl)hexanenitrile

6-(5,11-dimethylpyrido[3,4-b]carbazol-2-yl)hexanenitrile (PubChem CID 102343630) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-(5,11-dimethylpyrido[3,4-b]carbazol-2-yl)hexanenitrile.

Molecular Properties

Compound Name6-(5,11-dimethylpyrido[3,4-b]carbazol-2-yl)hexanenitrile
PubChem CID102343630
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name6-(5,11-dimethylpyrido[3,4-b]carbazol-2-yl)hexanenitrile
SMILESCc1c2cn(CCCCCC#N)ccc2c(C)c2c1nc1ccccc12
InChIInChI=1S/C23H23N3/c1-16-18-11-14-26(13-8-4-3-7-12-24)15-20(18)17(2)23-22(16)19-9-5-6-10-21(19)25-23/h5-6,9-11,14-15H,3-4,7-8,13H2,1-2H3
InChIKeyZASLALAJEOJESP-UHFFFAOYSA-N
XLogP6.04
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(5,11-dimethylpyrido[3,4-b]carbazol-2-yl)hexanenitrile?
The IUPAC name of 6-(5,11-dimethylpyrido[3,4-b]carbazol-2-yl)hexanenitrile (CID 102343630) is 6-(5,11-dimethylpyrido[3,4-b]carbazol-2-yl)hexanenitrile.
What is the SMILES notation for 6-(5,11-dimethylpyrido[3,4-b]carbazol-2-yl)hexanenitrile?
The canonical SMILES for 6-(5,11-dimethylpyrido[3,4-b]carbazol-2-yl)hexanenitrile is Cc1c2cn(CCCCCC#N)ccc2c(C)c2c1nc1ccccc12.
What is the InChIKey of 6-(5,11-dimethylpyrido[3,4-b]carbazol-2-yl)hexanenitrile?
The InChIKey is ZASLALAJEOJESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-16-18-11-14-26(13-8-4-3-7-12-24)15-20(18)17(2)23-22(16)19-9-5-6-10-21(19)25-23/h5-6,9-11,14-15H,3-4,7-8,13H2,1-2H3.
What are the key properties of 6-(5,11-dimethylpyrido[3,4-b]carbazol-2-yl)hexanenitrile?
6-(5,11-dimethylpyrido[3,4-b]carbazol-2-yl)hexanenitrile has a molecular weight of 341.46 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,11-dimethylpyrido[3,4-b]carbazol-2-yl)hexanenitrile is sourced from PubChem (CID 102343630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).