1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium

C25H28N+ — CID 162062988

IUPAC1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium
SMILESCc1cc2c(cc1-c1cccc[n+]1C)-c1cccc(C(C)C)c1C2(C)C
InChIInChI=1S/C25H28N/c1-16(2)18-10-9-11-19-21-15-20(23-12-7-8-13-26(23)6)17(3)14-22(21)25(4,5)24(18)19/h7-16H,1-6H3/q+1
InChIKeyYWCVSDZUBFKSPI-UHFFFAOYSA-N
MW342.51 g/mol
LogP5.92
Rot. Bonds2

About 1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium

1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium (PubChem CID 162062988) has the molecular formula C25H28N+ and a molecular weight of 342.51 g/mol. Its IUPAC name is 1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium
PubChem CID162062988
Molecular FormulaC25H28N+
Molecular Weight342.51 g/mol
Exact Mass342.22
IUPAC Name1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium
SMILESCc1cc2c(cc1-c1cccc[n+]1C)-c1cccc(C(C)C)c1C2(C)C
InChIInChI=1S/C25H28N/c1-16(2)18-10-9-11-19-21-15-20(23-12-7-8-13-26(23)6)17(3)14-22(21)25(4,5)24(18)19/h7-16H,1-6H3/q+1
InChIKeyYWCVSDZUBFKSPI-UHFFFAOYSA-N
XLogP5.92
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.51
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium
CID 59306168
1-methyl-2-(3,9,9-trimethyl-6-propan-2-ylfluoren-2-yl)pyridin-1-ium
CID 157243436
1-methyl-2-(3,9,9-trimethyl-1-propan-2-ylfluoren-4-yl)pyridin-1-ium
CID 160596176
1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium
CID 140720316
2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine
CID 140839461
6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-7,9,9-trimethylindeno[2,1-b]pyridine
CID 123277893
9,9-dimethyl-1,6-di(propan-2-yl)fluorene
CID 158076847
1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium
CID 170685494
2,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9,9-bis(trideuteriomethyl)indeno[2,1-b]pyridine;2',7'-dimethyl-8'-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6-(1,6-dimethylpyridin-1-ium-2-yl)-2,7,9,9-tetramethylindeno[2,1-b]pyridine;2,7,9,9-tetramethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine
CID 157269894
3-deuterio-1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium;1,2-dimethyl-6-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium;3,4,5-trideuterio-1,2-dimethyl-6-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium
CID 161226783
2-[7-(2-deuteriopropan-2-yl)-3,9,9-trimethylfluoren-4-yl]-1-methylpyridin-1-ium
CID 157123369
2-(7-isocyano-3-methyl-8-propan-2-yldibenzofuran-2-yl)-1-methylpyridin-1-ium
CID 154615260

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium?
The IUPAC name of 1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium (CID 162062988) is 1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium is Cc1cc2c(cc1-c1cccc[n+]1C)-c1cccc(C(C)C)c1C2(C)C.
What is the InChIKey of 1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium?
The InChIKey is YWCVSDZUBFKSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N/c1-16(2)18-10-9-11-19-21-15-20(23-12-7-8-13-26(23)6)17(3)14-22(21)25(4,5)24(18)19/h7-16H,1-6H3/q+1.
What are the key properties of 1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium?
1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium has a molecular weight of 342.51 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium is sourced from PubChem (CID 162062988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).