2-tert-butyl-10-methyl-7-(2-methylbutan-2-yl)-9H-acridine

C23H31N — CID 143642288

IUPAC2-tert-butyl-10-methyl-7-(2-methylbutan-2-yl)-9H-acridine
SMILESCCC(C)(C)c1ccc2c(c1)Cc1cc(C(C)(C)C)ccc1N2C
InChIInChI=1S/C23H31N/c1-8-23(5,6)19-10-12-21-17(15-19)13-16-14-18(22(2,3)4)9-11-20(16)24(21)7/h9-12,14-15H,8,13H2,1-7H3
InChIKeyCBMIUWXEKUEGJU-UHFFFAOYSA-N
MW321.51 g/mol
LogP6.34
Rot. Bonds2

About 2-tert-butyl-10-methyl-7-(2-methylbutan-2-yl)-9H-acridine

2-tert-butyl-10-methyl-7-(2-methylbutan-2-yl)-9H-acridine (PubChem CID 143642288) has the molecular formula C23H31N and a molecular weight of 321.51 g/mol. Its IUPAC name is 2-tert-butyl-10-methyl-7-(2-methylbutan-2-yl)-9H-acridine.

Molecular Properties

Compound Name2-tert-butyl-10-methyl-7-(2-methylbutan-2-yl)-9H-acridine
PubChem CID143642288
Molecular FormulaC23H31N
Molecular Weight321.51 g/mol
Exact Mass321.25
IUPAC Name2-tert-butyl-10-methyl-7-(2-methylbutan-2-yl)-9H-acridine
SMILESCCC(C)(C)c1ccc2c(c1)Cc1cc(C(C)(C)C)ccc1N2C
InChIInChI=1S/C23H31N/c1-8-23(5,6)19-10-12-21-17(15-19)13-16-14-18(22(2,3)4)9-11-20(16)24(21)7/h9-12,14-15H,8,13H2,1-7H3
InChIKeyCBMIUWXEKUEGJU-UHFFFAOYSA-N
XLogP6.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-10-methyl-7-(2-methylbutan-2-yl)-9H-acridine?
The IUPAC name of 2-tert-butyl-10-methyl-7-(2-methylbutan-2-yl)-9H-acridine (CID 143642288) is 2-tert-butyl-10-methyl-7-(2-methylbutan-2-yl)-9H-acridine.
What is the SMILES notation for 2-tert-butyl-10-methyl-7-(2-methylbutan-2-yl)-9H-acridine?
The canonical SMILES for 2-tert-butyl-10-methyl-7-(2-methylbutan-2-yl)-9H-acridine is CCC(C)(C)c1ccc2c(c1)Cc1cc(C(C)(C)C)ccc1N2C.
What is the InChIKey of 2-tert-butyl-10-methyl-7-(2-methylbutan-2-yl)-9H-acridine?
The InChIKey is CBMIUWXEKUEGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N/c1-8-23(5,6)19-10-12-21-17(15-19)13-16-14-18(22(2,3)4)9-11-20(16)24(21)7/h9-12,14-15H,8,13H2,1-7H3.
What are the key properties of 2-tert-butyl-10-methyl-7-(2-methylbutan-2-yl)-9H-acridine?
2-tert-butyl-10-methyl-7-(2-methylbutan-2-yl)-9H-acridine has a molecular weight of 321.51 g/mol, XLogP of 6.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-10-methyl-7-(2-methylbutan-2-yl)-9H-acridine is sourced from PubChem (CID 143642288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).