2,10-dimethylacridin-10-ium

C15H14N+ — CID 25896

IUPAC2,10-dimethylacridin-10-ium
SMILESCc1ccc2c(c1)cc1ccccc1[n+]2C
InChIInChI=1S/C15H14N/c1-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)16(15)2/h3-10H,1-2H3/q+1
InChIKeyBWBJXJLBRKEMBM-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.13
Rot. Bonds

About 2,10-dimethylacridin-10-ium

2,10-dimethylacridin-10-ium (PubChem CID 25896) has the molecular formula C15H14N+ and a molecular weight of 208.28 g/mol. Its IUPAC name is 2,10-dimethylacridin-10-ium.

Molecular Properties

Compound Name2,10-dimethylacridin-10-ium
PubChem CID25896
Molecular FormulaC15H14N+
Molecular Weight208.28 g/mol
Exact Mass208.11
IUPAC Name2,10-dimethylacridin-10-ium
SMILESCc1ccc2c(c1)cc1ccccc1[n+]2C
InChIInChI=1S/C15H14N/c1-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)16(15)2/h3-10H,1-2H3/q+1
InChIKeyBWBJXJLBRKEMBM-UHFFFAOYSA-N
XLogP3.13
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,10-dimethylacridin-10-ium?
The IUPAC name of 2,10-dimethylacridin-10-ium (CID 25896) is 2,10-dimethylacridin-10-ium.
What is the SMILES notation for 2,10-dimethylacridin-10-ium?
The canonical SMILES for 2,10-dimethylacridin-10-ium is Cc1ccc2c(c1)cc1ccccc1[n+]2C.
What is the InChIKey of 2,10-dimethylacridin-10-ium?
The InChIKey is BWBJXJLBRKEMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N/c1-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)16(15)2/h3-10H,1-2H3/q+1.
What are the key properties of 2,10-dimethylacridin-10-ium?
2,10-dimethylacridin-10-ium has a molecular weight of 208.28 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dimethylacridin-10-ium is sourced from PubChem (CID 25896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).