1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,7,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,8,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;2-[3,9-dimethyl-9-(trideuteriomethyl)fluoren-4-yl]-1-methylpyridin-1-ium

C94H100N4+4 — CID 160561068

IUPAC1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,7,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,8,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;2-[3,9-dimethyl-9-(trideuteriomethyl)fluoren-4-yl]-1-methylpyridin-1-ium
SMILESCc1ccc(-c2c(C)ccc3c2-c2cccc(C)c2C3(C)C)[n+](C)c1.Cc1ccc2c(c1)-c1c(ccc(C)c1-c1ccc(C)c[n+]1C)C2(C)C.Cc1ccc2c(c1)C(C)(C)c1ccc(C)c(-c3ccc(C)c[n+]3C)c1-2.[2H]C([2H])([2H])C1(C)c2ccccc2-c2c1ccc(C)c2-c1cccc[n+]1C
InChIInChI=1S/3C24H26N.C22H22N/c1-15-7-10-19-18(13-15)23-20(24(19,4)5)11-9-17(3)22(23)21-12-8-16(2)14-25(21)6;1-15-7-10-18-20(13-15)24(4,5)19-11-9-17(3)22(23(18)19)21-12-8-16(2)14-25(21)6;1-15-10-13-20(25(6)14-15)21-16(2)11-12-19-22(21)18-9-7-8-17(3)23(18)24(19,4)5;1-15-12-13-18-21(20(15)19-11-7-8-14-23(19)4)16-9-5-6-10-17(16)22(18,2)3/h3*7-14H,1-6H3;5-14H,1-4H3/q4*+1/i;;;2D3
InChIKeyGBCUOLWLRCMCDX-QVNATXKLSA-N
MW1288.88 g/mol
LogP21.02
Rot. Bonds5

About 1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,7,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,8,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;2-[3,9-dimethyl-9-(trideuteriomethyl)fluoren-4-yl]-1-methylpyridin-1-ium

1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,7,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,8,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;2-[3,9-dimethyl-9-(trideuteriomethyl)fluoren-4-yl]-1-methylpyridin-1-ium (PubChem CID 160561068) has the molecular formula C94H100N4+4 and a molecular weight of 1288.88 g/mol. Its IUPAC name is 1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,7,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,8,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;2-[3,9-dimethyl-9-(trideuteriomethyl)fluoren-4-yl]-1-methylpyridin-1-ium.

Molecular Properties

Compound Name1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,7,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,8,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;2-[3,9-dimethyl-9-(trideuteriomethyl)fluoren-4-yl]-1-methylpyridin-1-ium
PubChem CID160561068
Molecular FormulaC94H100N4+4
Molecular Weight1288.88 g/mol
Exact Mass1287.81
IUPAC Name1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,7,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,8,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;2-[3,9-dimethyl-9-(trideuteriomethyl)fluoren-4-yl]-1-methylpyridin-1-ium
SMILESCc1ccc(-c2c(C)ccc3c2-c2cccc(C)c2C3(C)C)[n+](C)c1.Cc1ccc2c(c1)-c1c(ccc(C)c1-c1ccc(C)c[n+]1C)C2(C)C.Cc1ccc2c(c1)C(C)(C)c1ccc(C)c(-c3ccc(C)c[n+]3C)c1-2.[2H]C([2H])([2H])C1(C)c2ccccc2-c2c1ccc(C)c2-c1cccc[n+]1C
InChIInChI=1S/3C24H26N.C22H22N/c1-15-7-10-19-18(13-15)23-20(24(19,4)5)11-9-17(3)22(23)21-12-8-16(2)14-25(21)6;1-15-7-10-18-20(13-15)24(4,5)19-11-9-17(3)22(23(18)19)21-12-8-16(2)14-25(21)6;1-15-10-13-20(25(6)14-15)21-16(2)11-12-19-22(21)18-9-7-8-17(3)23(18)24(19,4)5;1-15-12-13-18-21(20(15)19-11-7-8-14-23(19)4)16-9-5-6-10-17(16)22(18,2)3/h3*7-14H,1-6H3;5-14H,1-4H3/q4*+1/i;;;2D3
InChIKeyGBCUOLWLRCMCDX-QVNATXKLSA-N
XLogP21.02
TPSA15.52 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001288.88
LogP ≤ 521.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,7,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,8,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;2-[3,9-dimethyl-9-(trideuteriomethyl)fluoren-4-yl]-1-methylpyridin-1-ium with MolForge

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Related Compounds

1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium
CID 159213376
toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene)
CID 160789505
2-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium
CID 162063362
2-(1-deuterio-3,9,9-trimethylfluoren-4-yl)-1,5-dimethylpyridin-1-ium
CID 158548447
1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium
CID 159863789
2-[7-(2-deuteriopropan-2-yl)-3,9,9-trimethylfluoren-4-yl]-1-methylpyridin-1-ium
CID 157123369
9,9-dimethyl-2-(3-methylphenyl)fluorene;9,9-dimethyl-2-(4-methylphenyl)fluorene;1,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene;1,9,9-trimethyl-7-phenylfluorene;6,9,9-trimethyl-2-phenylfluorene
CID 159835700
1,9,9-trimethyl-4-phenylfluorene;1,9,9-trimethyl-7-phenylfluorene;2,9,9-trimethyl-7-phenylfluorene;4,9,9-trimethyl-2-phenylfluorene;5,9,9-trimethyl-2-phenylfluorene;6,9,9-trimethyl-2-phenylfluorene
CID 158427752
1-methyl-2-(3,9,9-trimethyl-1-propan-2-ylfluoren-4-yl)pyridin-1-ium
CID 160596176
9,9-dimethyl-2-(4-methylphenyl)fluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 162061427
2-(2,5-dimethylphenyl)-1,5-dimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,5-dimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium
CID 162184943
1,8-dimethyl-9,9-diphenylfluorene;2,7-dimethyl-9,9-diphenylfluorene;1,4,9,9-tetramethylfluorene;1,5,9,9-tetramethylfluorene;1,7,9,9-tetramethylfluorene;1,8,9,9-tetramethylfluorene;2,5,9,9-tetramethylfluorene;4,5,9,9-tetramethylfluorene
CID 161209539

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,7,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,8,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;2-[3,9-dimethyl-9-(trideuteriomethyl)fluoren-4-yl]-1-methylpyridin-1-ium?
The IUPAC name of 1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,7,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,8,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;2-[3,9-dimethyl-9-(trideuteriomethyl)fluoren-4-yl]-1-methylpyridin-1-ium (CID 160561068) is 1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,7,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,8,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;2-[3,9-dimethyl-9-(trideuteriomethyl)fluoren-4-yl]-1-methylpyridin-1-ium.
What is the SMILES notation for 1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,7,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,8,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;2-[3,9-dimethyl-9-(trideuteriomethyl)fluoren-4-yl]-1-methylpyridin-1-ium?
The canonical SMILES for 1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,7,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,8,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;2-[3,9-dimethyl-9-(trideuteriomethyl)fluoren-4-yl]-1-methylpyridin-1-ium is Cc1ccc(-c2c(C)ccc3c2-c2cccc(C)c2C3(C)C)[n+](C)c1.Cc1ccc2c(c1)-c1c(ccc(C)c1-c1ccc(C)c[n+]1C)C2(C)C.Cc1ccc2c(c1)C(C)(C)c1ccc(C)c(-c3ccc(C)c[n+]3C)c1-2.[2H]C([2H])([2H])C1(C)c2ccccc2-c2c1ccc(C)c2-c1cccc[n+]1C.
What is the InChIKey of 1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,7,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,8,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;2-[3,9-dimethyl-9-(trideuteriomethyl)fluoren-4-yl]-1-methylpyridin-1-ium?
The InChIKey is GBCUOLWLRCMCDX-QVNATXKLSA-N. The full InChI is InChI=1S/3C24H26N.C22H22N/c1-15-7-10-19-18(13-15)23-20(24(19,4)5)11-9-17(3)22(23)21-12-8-16(2)14-25(21)6;1-15-7-10-18-20(13-15)24(4,5)19-11-9-17(3)22(23(18)19)21-12-8-16(2)14-25(21)6;1-15-10-13-20(25(6)14-15)21-16(2)11-12-19-22(21)18-9-7-8-17(3)23(18)24(19,4)5;1-15-12-13-18-21(20(15)19-11-7-8-14-23(19)4)16-9-5-6-10-17(16)22(18,2)3/h3*7-14H,1-6H3;5-14H,1-4H3/q4*+1/i;;;2D3.
What are the key properties of 1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,7,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,8,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;2-[3,9-dimethyl-9-(trideuteriomethyl)fluoren-4-yl]-1-methylpyridin-1-ium?
1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,7,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,8,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;2-[3,9-dimethyl-9-(trideuteriomethyl)fluoren-4-yl]-1-methylpyridin-1-ium has a molecular weight of 1288.88 g/mol, XLogP of 21.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,7,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,8,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;2-[3,9-dimethyl-9-(trideuteriomethyl)fluoren-4-yl]-1-methylpyridin-1-ium is sourced from PubChem (CID 160561068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).