2-(9,9-difluoro-2-methylfluoren-1-yl)-1-methylpyridin-1-ium;2-[2,9-dimethyl-5,9-bis(trideuteriomethyl)fluoren-1-yl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,6,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,7,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium

C92H94F2N4+4 — CID 161397078

IUPAC2-(9,9-difluoro-2-methylfluoren-1-yl)-1-methylpyridin-1-ium;2-[2,9-dimethyl-5,9-bis(trideuteriomethyl)fluoren-1-yl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,6,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,7,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium
SMILESCc1ccc2c(c1-c1cccc[n+]1C)C(F)(F)c1ccccc1-2.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2C(C)(C([2H])([2H])[2H])c2cc(C)ccc2-3)[n+](C)c1.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2C(C)(C([2H])([2H])[2H])c2ccc(C)cc2-3)[n+](C)c1.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2C(C)(C([2H])([2H])[2H])c2cccc(C([2H])([2H])[2H])c2-3)[n+](C)c1
InChIInChI=1S/3C24H26N.C20H16F2N/c1-15-7-11-20-19(13-15)18-10-9-17(3)22(23(18)24(20,4)5)21-12-8-16(2)14-25(21)6;1-15-7-10-18-19-11-9-17(3)22(21-12-8-16(2)14-25(21)6)23(19)24(4,5)20(18)13-15;1-15-10-13-20(25(6)14-15)22-17(3)11-12-18-21-16(2)8-7-9-19(21)24(4,5)23(18)22;1-13-10-11-15-14-7-3-4-8-16(14)20(21,22)19(15)18(13)17-9-5-6-12-23(17)2/h3*7-14H,1-6H3;3-12H,1-2H3/q4*+1/i2*2D3,4D3;1D3,2D3,4D3;
InChIKeyMDDBYFVNUFCOHX-BDHSCVOWSA-N
MW1314.92 g/mol
LogP20.84
Rot. Bonds11

About 2-(9,9-difluoro-2-methylfluoren-1-yl)-1-methylpyridin-1-ium;2-[2,9-dimethyl-5,9-bis(trideuteriomethyl)fluoren-1-yl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,6,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,7,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium

2-(9,9-difluoro-2-methylfluoren-1-yl)-1-methylpyridin-1-ium;2-[2,9-dimethyl-5,9-bis(trideuteriomethyl)fluoren-1-yl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,6,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,7,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium (PubChem CID 161397078) has the molecular formula C92H94F2N4+4 and a molecular weight of 1314.92 g/mol. Its IUPAC name is 2-(9,9-difluoro-2-methylfluoren-1-yl)-1-methylpyridin-1-ium;2-[2,9-dimethyl-5,9-bis(trideuteriomethyl)fluoren-1-yl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,6,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,7,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium.

Molecular Properties

Compound Name2-(9,9-difluoro-2-methylfluoren-1-yl)-1-methylpyridin-1-ium;2-[2,9-dimethyl-5,9-bis(trideuteriomethyl)fluoren-1-yl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,6,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,7,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium
PubChem CID161397078
Molecular FormulaC92H94F2N4+4
Molecular Weight1314.92 g/mol
Exact Mass1313.87
IUPAC Name2-(9,9-difluoro-2-methylfluoren-1-yl)-1-methylpyridin-1-ium;2-[2,9-dimethyl-5,9-bis(trideuteriomethyl)fluoren-1-yl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,6,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,7,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium
SMILESCc1ccc2c(c1-c1cccc[n+]1C)C(F)(F)c1ccccc1-2.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2C(C)(C([2H])([2H])[2H])c2cc(C)ccc2-3)[n+](C)c1.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2C(C)(C([2H])([2H])[2H])c2ccc(C)cc2-3)[n+](C)c1.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2C(C)(C([2H])([2H])[2H])c2cccc(C([2H])([2H])[2H])c2-3)[n+](C)c1
InChIInChI=1S/3C24H26N.C20H16F2N/c1-15-7-11-20-19(13-15)18-10-9-17(3)22(23(18)24(20,4)5)21-12-8-16(2)14-25(21)6;1-15-7-10-18-19-11-9-17(3)22(21-12-8-16(2)14-25(21)6)23(19)24(4,5)20(18)13-15;1-15-10-13-20(25(6)14-15)22-17(3)11-12-18-21-16(2)8-7-9-19(21)24(4,5)23(18)22;1-13-10-11-15-14-7-3-4-8-16(14)20(21,22)19(15)18(13)17-9-5-6-12-23(17)2/h3*7-14H,1-6H3;3-12H,1-2H3/q4*+1/i2*2D3,4D3;1D3,2D3,4D3;
InChIKeyMDDBYFVNUFCOHX-BDHSCVOWSA-N
XLogP20.84
TPSA15.52 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001314.92
LogP ≤ 520.84
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-2-methylfluoren-1-yl)-1-methylpyridin-1-ium;2-[2,9-dimethyl-5,9-bis(trideuteriomethyl)fluoren-1-yl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,6,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,7,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(9,9-difluoro-2-methylfluoren-1-yl)-1-methylpyridin-1-ium;2-[2,9-dimethyl-5,9-bis(trideuteriomethyl)fluoren-1-yl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,6,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,7,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium?
The IUPAC name of 2-(9,9-difluoro-2-methylfluoren-1-yl)-1-methylpyridin-1-ium;2-[2,9-dimethyl-5,9-bis(trideuteriomethyl)fluoren-1-yl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,6,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,7,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium (CID 161397078) is 2-(9,9-difluoro-2-methylfluoren-1-yl)-1-methylpyridin-1-ium;2-[2,9-dimethyl-5,9-bis(trideuteriomethyl)fluoren-1-yl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,6,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,7,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium.
What is the SMILES notation for 2-(9,9-difluoro-2-methylfluoren-1-yl)-1-methylpyridin-1-ium;2-[2,9-dimethyl-5,9-bis(trideuteriomethyl)fluoren-1-yl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,6,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,7,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium?
The canonical SMILES for 2-(9,9-difluoro-2-methylfluoren-1-yl)-1-methylpyridin-1-ium;2-[2,9-dimethyl-5,9-bis(trideuteriomethyl)fluoren-1-yl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,6,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,7,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium is Cc1ccc2c(c1-c1cccc[n+]1C)C(F)(F)c1ccccc1-2.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2C(C)(C([2H])([2H])[2H])c2cc(C)ccc2-3)[n+](C)c1.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2C(C)(C([2H])([2H])[2H])c2ccc(C)cc2-3)[n+](C)c1.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2C(C)(C([2H])([2H])[2H])c2cccc(C([2H])([2H])[2H])c2-3)[n+](C)c1.
What is the InChIKey of 2-(9,9-difluoro-2-methylfluoren-1-yl)-1-methylpyridin-1-ium;2-[2,9-dimethyl-5,9-bis(trideuteriomethyl)fluoren-1-yl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,6,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,7,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium?
The InChIKey is MDDBYFVNUFCOHX-BDHSCVOWSA-N. The full InChI is InChI=1S/3C24H26N.C20H16F2N/c1-15-7-11-20-19(13-15)18-10-9-17(3)22(23(18)24(20,4)5)21-12-8-16(2)14-25(21)6;1-15-7-10-18-19-11-9-17(3)22(21-12-8-16(2)14-25(21)6)23(19)24(4,5)20(18)13-15;1-15-10-13-20(25(6)14-15)22-17(3)11-12-18-21-16(2)8-7-9-19(21)24(4,5)23(18)22;1-13-10-11-15-14-7-3-4-8-16(14)20(21,22)19(15)18(13)17-9-5-6-12-23(17)2/h3*7-14H,1-6H3;3-12H,1-2H3/q4*+1/i2*2D3,4D3;1D3,2D3,4D3;.
What are the key properties of 2-(9,9-difluoro-2-methylfluoren-1-yl)-1-methylpyridin-1-ium;2-[2,9-dimethyl-5,9-bis(trideuteriomethyl)fluoren-1-yl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,6,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,7,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium?
2-(9,9-difluoro-2-methylfluoren-1-yl)-1-methylpyridin-1-ium;2-[2,9-dimethyl-5,9-bis(trideuteriomethyl)fluoren-1-yl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,6,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,7,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium has a molecular weight of 1314.92 g/mol, XLogP of 20.84, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-difluoro-2-methylfluoren-1-yl)-1-methylpyridin-1-ium;2-[2,9-dimethyl-5,9-bis(trideuteriomethyl)fluoren-1-yl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,6,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium;1-methyl-5-(trideuteriomethyl)-2-[2,7,9-trimethyl-9-(trideuteriomethyl)fluoren-1-yl]pyridin-1-ium is sourced from PubChem (CID 161397078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).