2-(9,9-difluoro-3-methylfluoren-4-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,7,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,8,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium

C89H86F4N4+4 — CID 158675316

IUPAC2-(9,9-difluoro-3-methylfluoren-4-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,7,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,8,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium
SMILESCc1ccc(-c2c(C)ccc3c2-c2ccccc2C3(F)F)[n+](C)c1.Cc1ccc2c(c1-c1cccc[n+]1C)-c1ccccc1C2(F)F.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2-c2ccc(C)cc2C3(C)C([2H])([2H])[2H])[n+](C)c1.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2-c2cccc(C)c2C3(C)C([2H])([2H])[2H])[n+](C)c1
InChIInChI=1S/2C24H26N.C21H18F2N.C20H16F2N/c1-15-7-10-18-20(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;1-13-8-11-18(24(3)12-13)19-14(2)9-10-17-20(19)15-6-4-5-7-16(15)21(17,22)23;1-13-10-11-16-19(18(13)17-9-5-6-12-23(17)2)14-7-3-4-8-15(14)20(16,21)22/h2*7-14H,1-6H3;4-12H,1-3H3;3-12H,1-2H3/q4*+1/i2D3,4D3;1D3,4D3;;
InChIKeyBDOARTNCXVWSKV-NQDRJERASA-N
MW1299.76 g/mol
LogP20.34
Rot. Bonds8

About 2-(9,9-difluoro-3-methylfluoren-4-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,7,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,8,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium

2-(9,9-difluoro-3-methylfluoren-4-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,7,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,8,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium (PubChem CID 158675316) has the molecular formula C89H86F4N4+4 and a molecular weight of 1299.76 g/mol. Its IUPAC name is 2-(9,9-difluoro-3-methylfluoren-4-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,7,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,8,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium.

Molecular Properties

Compound Name2-(9,9-difluoro-3-methylfluoren-4-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,7,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,8,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium
PubChem CID158675316
Molecular FormulaC89H86F4N4+4
Molecular Weight1299.76 g/mol
Exact Mass1298.75
IUPAC Name2-(9,9-difluoro-3-methylfluoren-4-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,7,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,8,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium
SMILESCc1ccc(-c2c(C)ccc3c2-c2ccccc2C3(F)F)[n+](C)c1.Cc1ccc2c(c1-c1cccc[n+]1C)-c1ccccc1C2(F)F.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2-c2ccc(C)cc2C3(C)C([2H])([2H])[2H])[n+](C)c1.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2-c2cccc(C)c2C3(C)C([2H])([2H])[2H])[n+](C)c1
InChIInChI=1S/2C24H26N.C21H18F2N.C20H16F2N/c1-15-7-10-18-20(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;1-13-8-11-18(24(3)12-13)19-14(2)9-10-17-20(19)15-6-4-5-7-16(15)21(17,22)23;1-13-10-11-16-19(18(13)17-9-5-6-12-23(17)2)14-7-3-4-8-15(14)20(16,21)22/h2*7-14H,1-6H3;4-12H,1-3H3;3-12H,1-2H3/q4*+1/i2D3,4D3;1D3,4D3;;
InChIKeyBDOARTNCXVWSKV-NQDRJERASA-N
XLogP20.34
TPSA15.52 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001299.76
LogP ≤ 520.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(9,9-difluoro-3-methylfluoren-4-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,7,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,8,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(9,9-difluoro-3-methylfluoren-4-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,7,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,8,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium?
The IUPAC name of 2-(9,9-difluoro-3-methylfluoren-4-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,7,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,8,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium (CID 158675316) is 2-(9,9-difluoro-3-methylfluoren-4-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,7,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,8,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium.
What is the SMILES notation for 2-(9,9-difluoro-3-methylfluoren-4-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,7,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,8,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium?
The canonical SMILES for 2-(9,9-difluoro-3-methylfluoren-4-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,7,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,8,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium is Cc1ccc(-c2c(C)ccc3c2-c2ccccc2C3(F)F)[n+](C)c1.Cc1ccc2c(c1-c1cccc[n+]1C)-c1ccccc1C2(F)F.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2-c2ccc(C)cc2C3(C)C([2H])([2H])[2H])[n+](C)c1.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2-c2cccc(C)c2C3(C)C([2H])([2H])[2H])[n+](C)c1.
What is the InChIKey of 2-(9,9-difluoro-3-methylfluoren-4-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,7,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,8,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium?
The InChIKey is BDOARTNCXVWSKV-NQDRJERASA-N. The full InChI is InChI=1S/2C24H26N.C21H18F2N.C20H16F2N/c1-15-7-10-18-20(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;1-13-8-11-18(24(3)12-13)19-14(2)9-10-17-20(19)15-6-4-5-7-16(15)21(17,22)23;1-13-10-11-16-19(18(13)17-9-5-6-12-23(17)2)14-7-3-4-8-15(14)20(16,21)22/h2*7-14H,1-6H3;4-12H,1-3H3;3-12H,1-2H3/q4*+1/i2D3,4D3;1D3,4D3;;.
What are the key properties of 2-(9,9-difluoro-3-methylfluoren-4-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,7,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,8,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium?
2-(9,9-difluoro-3-methylfluoren-4-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,7,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,8,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium has a molecular weight of 1299.76 g/mol, XLogP of 20.34, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-difluoro-3-methylfluoren-4-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,7,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[3,8,9-trimethyl-9-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium is sourced from PubChem (CID 158675316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).