3,6,10-trimethylacridin-10-ium

C16H16N+ — CID 18342016

IUPAC3,6,10-trimethylacridin-10-ium
SMILESCc1ccc2cc3ccc(C)cc3[n+](C)c2c1
InChIInChI=1S/C16H16N/c1-11-4-6-13-10-14-7-5-12(2)9-16(14)17(3)15(13)8-11/h4-10H,1-3H3/q+1
InChIKeyIHVYHDFAGNLJFU-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.43
Rot. Bonds

About 3,6,10-trimethylacridin-10-ium

3,6,10-trimethylacridin-10-ium (PubChem CID 18342016) has the molecular formula C16H16N+ and a molecular weight of 222.31 g/mol. Its IUPAC name is 3,6,10-trimethylacridin-10-ium.

Molecular Properties

Compound Name3,6,10-trimethylacridin-10-ium
PubChem CID18342016
Molecular FormulaC16H16N+
Molecular Weight222.31 g/mol
Exact Mass222.13
IUPAC Name3,6,10-trimethylacridin-10-ium
SMILESCc1ccc2cc3ccc(C)cc3[n+](C)c2c1
InChIInChI=1S/C16H16N/c1-11-4-6-13-10-14-7-5-12(2)9-16(14)17(3)15(13)8-11/h4-10H,1-3H3/q+1
InChIKeyIHVYHDFAGNLJFU-UHFFFAOYSA-N
XLogP3.43
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,2,7-trimethylquinolin-1-ium
CID 134103157
2,10-dimethylacridin-10-ium
CID 25896
2,9-dimethylpentacene
CID 11460950
chloromethane;10-methylacridin-10-ium-3,6-diamine;hydrochloride
CID 158791095
2,6-dimethylnaphthalene;propane
CID 142191183
2-methyl-6-(6-methylnaphthalen-2-yl)anthracene
CID 140780842
2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 161299419
CID 140768421
CID 140768421
2,9-dimethylnaphtho[1,2-b]phenanthrene
CID 58426646
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
2,7-dimethylphenanthrene;ethane
CID 91503011
7-methyl-3-(1-methylquinolin-1-ium-2-yl)quinoline
CID 58695134

Frequently Asked Questions

What is the IUPAC name of 3,6,10-trimethylacridin-10-ium?
The IUPAC name of 3,6,10-trimethylacridin-10-ium (CID 18342016) is 3,6,10-trimethylacridin-10-ium.
What is the SMILES notation for 3,6,10-trimethylacridin-10-ium?
The canonical SMILES for 3,6,10-trimethylacridin-10-ium is Cc1ccc2cc3ccc(C)cc3[n+](C)c2c1.
What is the InChIKey of 3,6,10-trimethylacridin-10-ium?
The InChIKey is IHVYHDFAGNLJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N/c1-11-4-6-13-10-14-7-5-12(2)9-16(14)17(3)15(13)8-11/h4-10H,1-3H3/q+1.
What are the key properties of 3,6,10-trimethylacridin-10-ium?
3,6,10-trimethylacridin-10-ium has a molecular weight of 222.31 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,10-trimethylacridin-10-ium is sourced from PubChem (CID 18342016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).