9-tert-butyl-1,4,7-trimethylacridine

C20H23N — CID 159196230

IUPAC9-tert-butyl-1,4,7-trimethylacridine
SMILESCc1ccc2nc3c(C)ccc(C)c3c(C(C)(C)C)c2c1
InChIInChI=1S/C20H23N/c1-12-7-10-16-15(11-12)18(20(4,5)6)17-13(2)8-9-14(3)19(17)21-16/h7-11H,1-6H3
InChIKeyPNPBKWMPQZPCCK-UHFFFAOYSA-N
MW277.41 g/mol
LogP5.61
Rot. Bonds

About 9-tert-butyl-1,4,7-trimethylacridine

9-tert-butyl-1,4,7-trimethylacridine (PubChem CID 159196230) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 9-tert-butyl-1,4,7-trimethylacridine.

Molecular Properties

Compound Name9-tert-butyl-1,4,7-trimethylacridine
PubChem CID159196230
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name9-tert-butyl-1,4,7-trimethylacridine
SMILESCc1ccc2nc3c(C)ccc(C)c3c(C(C)(C)C)c2c1
InChIInChI=1S/C20H23N/c1-12-7-10-16-15(11-12)18(20(4,5)6)17-13(2)8-9-14(3)19(17)21-16/h7-11H,1-6H3
InChIKeyPNPBKWMPQZPCCK-UHFFFAOYSA-N
XLogP5.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-tert-butyl-1,3,7-trimethylacridine
CID 159196229
9-tert-butyl-2,3,7-trimethylacridine
CID 157493944
9-tert-butyl-3,4,6-trimethylacridine
CID 160660304
9-tert-butyl-1,2,3,4,6,7-hexamethylacridine;9-tert-butyl-1,2,3,6,7-pentamethylacridine;9-tert-butyl-2,3,4,6,7-pentamethylacridine;9-tert-butyl-1,2,6,7-tetramethylacridine;9-tert-butyl-1,3,6,7-tetramethylacridine;9-tert-butyl-1,4,6,7-tetramethylacridine;9-tert-butyl-1,5,6,7-tetramethylacridine
CID 159689695
9-tert-butyl-3,6-dimethylacridine
CID 159242363
4-tert-butyl-2,6-dimethylquinoline
CID 20728117
9-tert-butyl-1,2,3,4,6,7-hexamethylacridine
CID 159689701
2-tert-butyl-6-methylquinolin-4-amine
CID 62202003
4-tert-butyl-6-methylquinoline-3-carbonitrile
CID 105482297
2,4,7,9-tetramethyl-1-nitroacridine
CID 59882811
2-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)propan-2-ol
CID 82450358
4,6-dimethyl-2-(trifluoromethyl)quinoline
CID 70809225

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-1,4,7-trimethylacridine?
The IUPAC name of 9-tert-butyl-1,4,7-trimethylacridine (CID 159196230) is 9-tert-butyl-1,4,7-trimethylacridine.
What is the SMILES notation for 9-tert-butyl-1,4,7-trimethylacridine?
The canonical SMILES for 9-tert-butyl-1,4,7-trimethylacridine is Cc1ccc2nc3c(C)ccc(C)c3c(C(C)(C)C)c2c1.
What is the InChIKey of 9-tert-butyl-1,4,7-trimethylacridine?
The InChIKey is PNPBKWMPQZPCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-12-7-10-16-15(11-12)18(20(4,5)6)17-13(2)8-9-14(3)19(17)21-16/h7-11H,1-6H3.
What are the key properties of 9-tert-butyl-1,4,7-trimethylacridine?
9-tert-butyl-1,4,7-trimethylacridine has a molecular weight of 277.41 g/mol, XLogP of 5.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-1,4,7-trimethylacridine is sourced from PubChem (CID 159196230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).