trimethyl-(2-methyl-7-phenyl-3H-inden-5-yl)azanium

C19H22N+ — CID 173242398

IUPACtrimethyl-(2-methyl-7-phenyl-3H-inden-5-yl)azanium
SMILESCC1=Cc2c(cc([N+](C)(C)C)cc2-c2ccccc2)C1
InChIInChI=1S/C19H22N/c1-14-10-16-12-17(20(2,3)4)13-19(18(16)11-14)15-8-6-5-7-9-15/h5-9,11-13H,10H2,1-4H3/q+1
InChIKeyAHNYCKWMGGDKDM-UHFFFAOYSA-N
MW264.39 g/mol
LogP4.51
Rot. Bonds2

About trimethyl-(2-methyl-7-phenyl-3H-inden-5-yl)azanium

trimethyl-(2-methyl-7-phenyl-3H-inden-5-yl)azanium (PubChem CID 173242398) has the molecular formula C19H22N+ and a molecular weight of 264.39 g/mol. Its IUPAC name is trimethyl-(2-methyl-7-phenyl-3H-inden-5-yl)azanium.

Molecular Properties

Compound Nametrimethyl-(2-methyl-7-phenyl-3H-inden-5-yl)azanium
PubChem CID173242398
Molecular FormulaC19H22N+
Molecular Weight264.39 g/mol
Exact Mass264.17
IUPAC Nametrimethyl-(2-methyl-7-phenyl-3H-inden-5-yl)azanium
SMILESCC1=Cc2c(cc([N+](C)(C)C)cc2-c2ccccc2)C1
InChIInChI=1S/C19H22N/c1-14-10-16-12-17(20(2,3)4)13-19(18(16)11-14)15-8-6-5-7-9-15/h5-9,11-13H,10H2,1-4H3/q+1
InChIKeyAHNYCKWMGGDKDM-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dichlorozirconium;2,6-dimethyl-4-phenyl-1H-indene
CID 174528512
2-(2-methyl-7-phenyl-3H-inden-5-yl)tetrazole
CID 87863438
4-(3,5-diphenylphenyl)-2-methyl-1H-indene
CID 141047281
2-methyl-4-(3-phenylphenyl)-1H-indene
CID 18008269
dimethylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-indene);dichloride
CID 173107373
4-(4-methoxyphenyl)-2,6-dimethyl-1H-indene
CID 173192637
[3-(2-methyl-1H-inden-4-yl)phenyl]-diphenylphosphane
CID 173242054
2,6-dimethyl-4-(4-propylphenyl)-1H-indene
CID 87521295
2,5-dimethyl-4-phenyl-1H-indene
CID 173229793
4-phenyl-6-propan-2-yl-2-propyl-1H-indene
CID 158001235
6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-indene;ethane
CID 144649279
1-(2-methyl-6-phenyl-1H-inden-4-yl)imidazole
CID 87863076

Frequently Asked Questions

What is the IUPAC name of trimethyl-(2-methyl-7-phenyl-3H-inden-5-yl)azanium?
The IUPAC name of trimethyl-(2-methyl-7-phenyl-3H-inden-5-yl)azanium (CID 173242398) is trimethyl-(2-methyl-7-phenyl-3H-inden-5-yl)azanium.
What is the SMILES notation for trimethyl-(2-methyl-7-phenyl-3H-inden-5-yl)azanium?
The canonical SMILES for trimethyl-(2-methyl-7-phenyl-3H-inden-5-yl)azanium is CC1=Cc2c(cc([N+](C)(C)C)cc2-c2ccccc2)C1.
What is the InChIKey of trimethyl-(2-methyl-7-phenyl-3H-inden-5-yl)azanium?
The InChIKey is AHNYCKWMGGDKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N/c1-14-10-16-12-17(20(2,3)4)13-19(18(16)11-14)15-8-6-5-7-9-15/h5-9,11-13H,10H2,1-4H3/q+1.
What are the key properties of trimethyl-(2-methyl-7-phenyl-3H-inden-5-yl)azanium?
trimethyl-(2-methyl-7-phenyl-3H-inden-5-yl)azanium has a molecular weight of 264.39 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2-methyl-7-phenyl-3H-inden-5-yl)azanium is sourced from PubChem (CID 173242398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).