9-tert-butyl-1,2,3,4,6,7-hexamethylacridine

C23H29N — CID 159689701

IUPAC9-tert-butyl-1,2,3,4,6,7-hexamethylacridine
SMILESCc1cc2nc3c(C)c(C)c(C)c(C)c3c(C(C)(C)C)c2cc1C
InChIInChI=1S/C23H29N/c1-12-10-18-19(11-13(12)2)24-22-17(6)15(4)14(3)16(5)20(22)21(18)23(7,8)9/h10-11H,1-9H3
InChIKeyLYMCKLSRCIXGGX-UHFFFAOYSA-N
MW319.49 g/mol
LogP6.54
Rot. Bonds

About 9-tert-butyl-1,2,3,4,6,7-hexamethylacridine

9-tert-butyl-1,2,3,4,6,7-hexamethylacridine (PubChem CID 159689701) has the molecular formula C23H29N and a molecular weight of 319.49 g/mol. Its IUPAC name is 9-tert-butyl-1,2,3,4,6,7-hexamethylacridine.

Molecular Properties

Compound Name9-tert-butyl-1,2,3,4,6,7-hexamethylacridine
PubChem CID159689701
Molecular FormulaC23H29N
Molecular Weight319.49 g/mol
Exact Mass319.23
IUPAC Name9-tert-butyl-1,2,3,4,6,7-hexamethylacridine
SMILESCc1cc2nc3c(C)c(C)c(C)c(C)c3c(C(C)(C)C)c2cc1C
InChIInChI=1S/C23H29N/c1-12-10-18-19(11-13(12)2)24-22-17(6)15(4)14(3)16(5)20(22)21(18)23(7,8)9/h10-11H,1-9H3
InChIKeyLYMCKLSRCIXGGX-UHFFFAOYSA-N
XLogP6.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-tert-butyl-1,2,3,4,6,7-hexamethylacridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-2,3,7-trimethylacridine
CID 157493944
9-tert-butyl-1,4,7-trimethylacridine
CID 159196230
9-tert-butyl-3,4,6-trimethylacridine
CID 160660304
4-tert-butyl-2-ethyl-6,7-dimethylquinazoline
CID 163733345
9-tert-butyl-1,3,7-trimethylacridine
CID 159196229
2,4,6,7-tetramethylquinoline
CID 13148811
9-tert-butyl-3,6-dimethylacridine
CID 159242363
2,4-ditert-butyl-1,6,7-trimethylnaphthalene
CID 171579051
2-(3,4-diamino-6,7-dimethylquinolin-2-yl)propan-2-ol
CID 142558003
2-tert-butyl-6,7-dimethylquinoline-4-carbothioamide
CID 82448781
N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]butan-1-amine
CID 82448776

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-1,2,3,4,6,7-hexamethylacridine?
The IUPAC name of 9-tert-butyl-1,2,3,4,6,7-hexamethylacridine (CID 159689701) is 9-tert-butyl-1,2,3,4,6,7-hexamethylacridine.
What is the SMILES notation for 9-tert-butyl-1,2,3,4,6,7-hexamethylacridine?
The canonical SMILES for 9-tert-butyl-1,2,3,4,6,7-hexamethylacridine is Cc1cc2nc3c(C)c(C)c(C)c(C)c3c(C(C)(C)C)c2cc1C.
What is the InChIKey of 9-tert-butyl-1,2,3,4,6,7-hexamethylacridine?
The InChIKey is LYMCKLSRCIXGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N/c1-12-10-18-19(11-13(12)2)24-22-17(6)15(4)14(3)16(5)20(22)21(18)23(7,8)9/h10-11H,1-9H3.
What are the key properties of 9-tert-butyl-1,2,3,4,6,7-hexamethylacridine?
9-tert-butyl-1,2,3,4,6,7-hexamethylacridine has a molecular weight of 319.49 g/mol, XLogP of 6.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-1,2,3,4,6,7-hexamethylacridine is sourced from PubChem (CID 159689701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).