9-tert-butyl-3,4,6-trimethylacridine

C20H23N — CID 160660304

IUPAC9-tert-butyl-3,4,6-trimethylacridine
SMILESCc1ccc2c(C(C)(C)C)c3ccc(C)c(C)c3nc2c1
InChIInChI=1S/C20H23N/c1-12-7-9-15-17(11-12)21-19-14(3)13(2)8-10-16(19)18(15)20(4,5)6/h7-11H,1-6H3
InChIKeyUMCUJEYZRYRKHD-UHFFFAOYSA-N
MW277.41 g/mol
LogP5.61
Rot. Bonds

About 9-tert-butyl-3,4,6-trimethylacridine

9-tert-butyl-3,4,6-trimethylacridine (PubChem CID 160660304) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 9-tert-butyl-3,4,6-trimethylacridine.

Molecular Properties

Compound Name9-tert-butyl-3,4,6-trimethylacridine
PubChem CID160660304
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name9-tert-butyl-3,4,6-trimethylacridine
SMILESCc1ccc2c(C(C)(C)C)c3ccc(C)c(C)c3nc2c1
InChIInChI=1S/C20H23N/c1-12-7-9-15-17(11-12)21-19-14(3)13(2)8-10-16(19)18(15)20(4,5)6/h7-11H,1-6H3
InChIKeyUMCUJEYZRYRKHD-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-3,6-dimethylacridine
CID 159242363
9-tert-butyl-2,3,7-trimethylacridine
CID 157493944
9-tert-butyl-1,4,7-trimethylacridine
CID 159196230
2-tert-butyl-4-(chloromethyl)-7,8-dimethylquinoline
CID 82448488
4-tert-butyl-7-methylquinolin-3-amine
CID 105468035
4-tert-butyl-3-fluoro-7-methylquinoline
CID 105471465
2,7,8-trimethyl-N-(4-methylphenyl)quinolin-4-amine
CID 743492
9-tert-butyl-1,3,7-trimethylacridine
CID 159196229
3,4,9-trimethylacridine
CID 58813802
2-(2-tert-butyl-7,8-dimethylquinolin-4-yl)acetonitrile
CID 82448490
(4-tert-butyl-7-methylquinolin-3-yl)methanamine
CID 105485981
9-tert-butyl-1,2,3,4,6,7-hexamethylacridine
CID 159689701

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-3,4,6-trimethylacridine?
The IUPAC name of 9-tert-butyl-3,4,6-trimethylacridine (CID 160660304) is 9-tert-butyl-3,4,6-trimethylacridine.
What is the SMILES notation for 9-tert-butyl-3,4,6-trimethylacridine?
The canonical SMILES for 9-tert-butyl-3,4,6-trimethylacridine is Cc1ccc2c(C(C)(C)C)c3ccc(C)c(C)c3nc2c1.
What is the InChIKey of 9-tert-butyl-3,4,6-trimethylacridine?
The InChIKey is UMCUJEYZRYRKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-12-7-9-15-17(11-12)21-19-14(3)13(2)8-10-16(19)18(15)20(4,5)6/h7-11H,1-6H3.
What are the key properties of 9-tert-butyl-3,4,6-trimethylacridine?
9-tert-butyl-3,4,6-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-3,4,6-trimethylacridine is sourced from PubChem (CID 160660304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).