9,9,10-trimethyl-2-nitroacridine

C16H16N2O2 — CID 53253608

IUPAC9,9,10-trimethyl-2-nitroacridine
SMILESCN1c2ccccc2C(C)(C)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C16H16N2O2/c1-16(2)12-6-4-5-7-14(12)17(3)15-9-8-11(18(19)20)10-13(15)16/h4-10H,1-3H3
InChIKeyYUGDGZXPHBBFKW-UHFFFAOYSA-N
MW268.32 g/mol
LogP4.00
Rot. Bonds1

About 9,9,10-trimethyl-2-nitroacridine

9,9,10-trimethyl-2-nitroacridine (PubChem CID 53253608) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 9,9,10-trimethyl-2-nitroacridine.

Molecular Properties

Compound Name9,9,10-trimethyl-2-nitroacridine
PubChem CID53253608
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name9,9,10-trimethyl-2-nitroacridine
SMILESCN1c2ccccc2C(C)(C)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C16H16N2O2/c1-16(2)12-6-4-5-7-14(12)17(3)15-9-8-11(18(19)20)10-13(15)16/h4-10H,1-3H3
InChIKeyYUGDGZXPHBBFKW-UHFFFAOYSA-N
XLogP4.00
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

9,9,10-trimethylacridine
CID 610451
10-[3-(9,9-dimethylacridin-10-yl)-5-nitrophenyl]-9,9-dimethylacridine
CID 59399557
(9,9,10-trimethylacridin-2-yl)boronic acid
CID 161441175
1-methyl-5-nitrospiro[indole-3,4'-oxane]-2-one
CID 122459681
(4aR)-4a,9-dimethyl-6-nitro-3,4-dihydro-2H-carbazole
CID 124578333
(2S,3R)-1,3-dimethyl-5-nitro-2-phenyl-3-(trifluoromethyl)-2H-indole
CID 10497071
5,10-dimethyl-2,8-dinitrophenophosphazinine
CID 71370251
(2S)-1,2,3-trimethyl-5-nitro-2-phenylbenzimidazole
CID 7360618
(2-methyl-5-nitrophenyl)imino-diphenyl-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]-λ5-phosphane
CID 75409301
(2Z)-1-pyridin-3-yl-2-(1,3,3-trimethyl-5-nitroindol-2-ylidene)ethanone
CID 6175041
10-[(9,10-dimethylacridin-9-yl)methyl]-2,7,9,9-tetramethylacridine
CID 166909608
(3S)-3-hydroxy-1-methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]indol-2-one
CID 6927066

Frequently Asked Questions

What is the IUPAC name of 9,9,10-trimethyl-2-nitroacridine?
The IUPAC name of 9,9,10-trimethyl-2-nitroacridine (CID 53253608) is 9,9,10-trimethyl-2-nitroacridine.
What is the SMILES notation for 9,9,10-trimethyl-2-nitroacridine?
The canonical SMILES for 9,9,10-trimethyl-2-nitroacridine is CN1c2ccccc2C(C)(C)c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 9,9,10-trimethyl-2-nitroacridine?
The InChIKey is YUGDGZXPHBBFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-16(2)12-6-4-5-7-14(12)17(3)15-9-8-11(18(19)20)10-13(15)16/h4-10H,1-3H3.
What are the key properties of 9,9,10-trimethyl-2-nitroacridine?
9,9,10-trimethyl-2-nitroacridine has a molecular weight of 268.32 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,10-trimethyl-2-nitroacridine is sourced from PubChem (CID 53253608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).