4,7-dimethylpyrido[2,3-c]carbazol-4-ium

C17H15N2+ — CID 5015534

IUPAC4,7-dimethylpyrido[2,3-c]carbazol-4-ium
SMILESCn1c2ccccc2c2c3ccc[n+](C)c3ccc21
InChIInChI=1S/C17H15N2/c1-18-11-5-7-12-14(18)9-10-16-17(12)13-6-3-4-8-15(13)19(16)2/h3-11H,1-2H3/q+1
InChIKeyIAQYIJJPLDSORP-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.31
Rot. Bonds

About 4,7-dimethylpyrido[2,3-c]carbazol-4-ium

4,7-dimethylpyrido[2,3-c]carbazol-4-ium (PubChem CID 5015534) has the molecular formula C17H15N2+ and a molecular weight of 247.32 g/mol. Its IUPAC name is 4,7-dimethylpyrido[2,3-c]carbazol-4-ium.

Molecular Properties

Compound Name4,7-dimethylpyrido[2,3-c]carbazol-4-ium
PubChem CID5015534
Molecular FormulaC17H15N2+
Molecular Weight247.32 g/mol
Exact Mass247.12
IUPAC Name4,7-dimethylpyrido[2,3-c]carbazol-4-ium
SMILESCn1c2ccccc2c2c3ccc[n+](C)c3ccc21
InChIInChI=1S/C17H15N2/c1-18-11-5-7-12-14(18)9-10-16-17(12)13-6-3-4-8-15(13)19(16)2/h3-11H,1-2H3/q+1
InChIKeyIAQYIJJPLDSORP-UHFFFAOYSA-N
XLogP3.31
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylpyrido[2,3-c]carbazol-4-ium?
The IUPAC name of 4,7-dimethylpyrido[2,3-c]carbazol-4-ium (CID 5015534) is 4,7-dimethylpyrido[2,3-c]carbazol-4-ium.
What is the SMILES notation for 4,7-dimethylpyrido[2,3-c]carbazol-4-ium?
The canonical SMILES for 4,7-dimethylpyrido[2,3-c]carbazol-4-ium is Cn1c2ccccc2c2c3ccc[n+](C)c3ccc21.
What is the InChIKey of 4,7-dimethylpyrido[2,3-c]carbazol-4-ium?
The InChIKey is IAQYIJJPLDSORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N2/c1-18-11-5-7-12-14(18)9-10-16-17(12)13-6-3-4-8-15(13)19(16)2/h3-11H,1-2H3/q+1.
What are the key properties of 4,7-dimethylpyrido[2,3-c]carbazol-4-ium?
4,7-dimethylpyrido[2,3-c]carbazol-4-ium has a molecular weight of 247.32 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylpyrido[2,3-c]carbazol-4-ium is sourced from PubChem (CID 5015534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).