9,9-dimethylcarbazol-9-ium

C14H14N+ — CID 18721194

IUPAC9,9-dimethylcarbazol-9-ium
SMILESC[N+]1(C)c2ccccc2-c2ccccc21
InChIInChI=1S/C14H14N/c1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H,1-2H3/q+1
InChIKeyDFNYLCBOICQHOG-UHFFFAOYSA-N
MW196.27 g/mol
LogP3.57
Rot. Bonds

About 9,9-dimethylcarbazol-9-ium

9,9-dimethylcarbazol-9-ium (PubChem CID 18721194) has the molecular formula C14H14N+ and a molecular weight of 196.27 g/mol. Its IUPAC name is 9,9-dimethylcarbazol-9-ium.

Molecular Properties

Compound Name9,9-dimethylcarbazol-9-ium
PubChem CID18721194
Molecular FormulaC14H14N+
Molecular Weight196.27 g/mol
Exact Mass196.11
IUPAC Name9,9-dimethylcarbazol-9-ium
SMILESC[N+]1(C)c2ccccc2-c2ccccc21
InChIInChI=1S/C14H14N/c1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H,1-2H3/q+1
InChIKeyDFNYLCBOICQHOG-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethylcarbazol-9-ium?
The IUPAC name of 9,9-dimethylcarbazol-9-ium (CID 18721194) is 9,9-dimethylcarbazol-9-ium.
What is the SMILES notation for 9,9-dimethylcarbazol-9-ium?
The canonical SMILES for 9,9-dimethylcarbazol-9-ium is C[N+]1(C)c2ccccc2-c2ccccc21.
What is the InChIKey of 9,9-dimethylcarbazol-9-ium?
The InChIKey is DFNYLCBOICQHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N/c1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H,1-2H3/q+1.
What are the key properties of 9,9-dimethylcarbazol-9-ium?
9,9-dimethylcarbazol-9-ium has a molecular weight of 196.27 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethylcarbazol-9-ium is sourced from PubChem (CID 18721194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).