9,9-dimethyl-2,7-bis(trideuteriomethyl)-10H-acridine

C17H19N — CID 175736792

IUPAC9,9-dimethyl-2,7-bis(trideuteriomethyl)-10H-acridine
SMILES[2H]C([2H])([2H])c1ccc2c(c1)C(C)(C)c1cc(C([2H])([2H])[2H])ccc1N2
InChIInChI=1S/C17H19N/c1-11-5-7-15-13(9-11)17(3,4)14-10-12(2)6-8-16(14)18-15/h5-10,18H,1-4H3/i1D3,2D3
InChIKeyIIPRZFWOSCKSIM-WFGJKAKNSA-N
MW243.38 g/mol
LogP4.69
Rot. Bonds2

About 9,9-dimethyl-2,7-bis(trideuteriomethyl)-10H-acridine

9,9-dimethyl-2,7-bis(trideuteriomethyl)-10H-acridine (PubChem CID 175736792) has the molecular formula C17H19N and a molecular weight of 243.38 g/mol. Its IUPAC name is 9,9-dimethyl-2,7-bis(trideuteriomethyl)-10H-acridine.

Molecular Properties

Compound Name9,9-dimethyl-2,7-bis(trideuteriomethyl)-10H-acridine
PubChem CID175736792
Molecular FormulaC17H19N
Molecular Weight243.38 g/mol
Exact Mass243.19
IUPAC Name9,9-dimethyl-2,7-bis(trideuteriomethyl)-10H-acridine
SMILES[2H]C([2H])([2H])c1ccc2c(c1)C(C)(C)c1cc(C([2H])([2H])[2H])ccc1N2
InChIInChI=1S/C17H19N/c1-11-5-7-15-13(9-11)17(3,4)14-10-12(2)6-8-16(14)18-15/h5-10,18H,1-4H3/i1D3,2D3
InChIKeyIIPRZFWOSCKSIM-WFGJKAKNSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2,7-bis(trideuteriomethyl)-10H-acridine?
The IUPAC name of 9,9-dimethyl-2,7-bis(trideuteriomethyl)-10H-acridine (CID 175736792) is 9,9-dimethyl-2,7-bis(trideuteriomethyl)-10H-acridine.
What is the SMILES notation for 9,9-dimethyl-2,7-bis(trideuteriomethyl)-10H-acridine?
The canonical SMILES for 9,9-dimethyl-2,7-bis(trideuteriomethyl)-10H-acridine is [2H]C([2H])([2H])c1ccc2c(c1)C(C)(C)c1cc(C([2H])([2H])[2H])ccc1N2.
What is the InChIKey of 9,9-dimethyl-2,7-bis(trideuteriomethyl)-10H-acridine?
The InChIKey is IIPRZFWOSCKSIM-WFGJKAKNSA-N. The full InChI is InChI=1S/C17H19N/c1-11-5-7-15-13(9-11)17(3,4)14-10-12(2)6-8-16(14)18-15/h5-10,18H,1-4H3/i1D3,2D3.
What are the key properties of 9,9-dimethyl-2,7-bis(trideuteriomethyl)-10H-acridine?
9,9-dimethyl-2,7-bis(trideuteriomethyl)-10H-acridine has a molecular weight of 243.38 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2,7-bis(trideuteriomethyl)-10H-acridine is sourced from PubChem (CID 175736792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).