8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile;8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-4-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-1-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-2-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile

C121H117N10+5 — CID 163861619

IUPAC8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile;8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-4-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-1-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-2-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile
SMILES[2H]C([2H])([2H])C([2H])(c1cc(C)[n+](C)c(-c2c(C)ccc3c2Cc2c(C#N)cccc2-3)c1)C([2H])([2H])[2H].[2H]C([2H])([2H])C([2H])(c1cc(C)[n+](C)c(-c2c(C)ccc3c2Cc2cc(C#N)ccc2-3)c1)C([2H])([2H])[2H].[2H]C([2H])([2H])C([2H])(c1cc(C)[n+](C)c(-c2c(C)ccc3c2Cc2ccc(C#N)cc2-3)c1)C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(C)[n+](C)c(-c2c(C)ccc3c2Cc2ccc(C#N)cc2-3)c1.[2H]C([2H])([2H])c1cc(C)[n+](C)c(-c2c(C)ccc3c2Cc2cccc(C#N)c2-3)c1
InChIInChI=1S/3C25H25N2.2C23H21N2/c1-15(2)20-10-17(4)27(5)24(13-20)25-16(3)6-9-21-22-11-18(14-26)7-8-19(22)12-23(21)25;1-15(2)19-10-17(4)27(5)24(13-19)25-16(3)6-8-22-21-9-7-18(14-26)11-20(21)12-23(22)25;1-15(2)19-11-17(4)27(5)24(12-19)25-16(3)9-10-21-20-8-6-7-18(14-26)22(20)13-23(21)25;1-14-9-16(3)25(4)22(10-14)23-15(2)5-8-19-20-11-17(13-24)6-7-18(20)12-21(19)23;1-14-10-16(3)25(4)21(11-14)22-15(2)8-9-19-20(22)12-17-6-5-7-18(13-24)23(17)19/h2*6-11,13,15H,12H2,1-5H3;6-12,15H,13H2,1-5H3;2*5-11H,12H2,1-4H3/q5*+1/i3*1D3,2D3,15D;2*1D3
InChIKeyVNQMPXRFZOGVFG-HVMYCZNNSA-N
MW1738.50 g/mol
LogP25.18
Rot. Bonds16

About 8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile;8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-4-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-1-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-2-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile

8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile;8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-4-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-1-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-2-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile (PubChem CID 163861619) has the molecular formula C121H117N10+5 and a molecular weight of 1738.50 g/mol. Its IUPAC name is 8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile;8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-4-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-1-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-2-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile.

Molecular Properties

Compound Name8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile;8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-4-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-1-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-2-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile
PubChem CID163861619
Molecular FormulaC121H117N10+5
Molecular Weight1738.50 g/mol
Exact Mass1737.11
IUPAC Name8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile;8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-4-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-1-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-2-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile
SMILES[2H]C([2H])([2H])C([2H])(c1cc(C)[n+](C)c(-c2c(C)ccc3c2Cc2c(C#N)cccc2-3)c1)C([2H])([2H])[2H].[2H]C([2H])([2H])C([2H])(c1cc(C)[n+](C)c(-c2c(C)ccc3c2Cc2cc(C#N)ccc2-3)c1)C([2H])([2H])[2H].[2H]C([2H])([2H])C([2H])(c1cc(C)[n+](C)c(-c2c(C)ccc3c2Cc2ccc(C#N)cc2-3)c1)C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(C)[n+](C)c(-c2c(C)ccc3c2Cc2ccc(C#N)cc2-3)c1.[2H]C([2H])([2H])c1cc(C)[n+](C)c(-c2c(C)ccc3c2Cc2cccc(C#N)c2-3)c1
InChIInChI=1S/3C25H25N2.2C23H21N2/c1-15(2)20-10-17(4)27(5)24(13-20)25-16(3)6-9-21-22-11-18(14-26)7-8-19(22)12-23(21)25;1-15(2)19-10-17(4)27(5)24(13-19)25-16(3)6-8-22-21-9-7-18(14-26)11-20(21)12-23(22)25;1-15(2)19-11-17(4)27(5)24(12-19)25-16(3)9-10-21-20-8-6-7-18(14-26)22(20)13-23(21)25;1-14-9-16(3)25(4)22(10-14)23-15(2)5-8-19-20-11-17(13-24)6-7-18(20)12-21(19)23;1-14-10-16(3)25(4)21(11-14)22-15(2)8-9-19-20(22)12-17-6-5-7-18(13-24)23(17)19/h2*6-11,13,15H,12H2,1-5H3;6-12,15H,13H2,1-5H3;2*5-11H,12H2,1-4H3/q5*+1/i3*1D3,2D3,15D;2*1D3
InChIKeyVNQMPXRFZOGVFG-HVMYCZNNSA-N
XLogP25.18
TPSA138.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms131
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001738.50
LogP ≤ 525.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile;8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-4-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-1-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-2-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile;8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-4-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-1-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-2-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile?
The IUPAC name of 8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile;8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-4-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-1-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-2-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile (CID 163861619) is 8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile;8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-4-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-1-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-2-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile.
What is the SMILES notation for 8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile;8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-4-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-1-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-2-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile?
The canonical SMILES for 8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile;8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-4-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-1-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-2-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile is [2H]C([2H])([2H])C([2H])(c1cc(C)[n+](C)c(-c2c(C)ccc3c2Cc2c(C#N)cccc2-3)c1)C([2H])([2H])[2H].[2H]C([2H])([2H])C([2H])(c1cc(C)[n+](C)c(-c2c(C)ccc3c2Cc2cc(C#N)ccc2-3)c1)C([2H])([2H])[2H].[2H]C([2H])([2H])C([2H])(c1cc(C)[n+](C)c(-c2c(C)ccc3c2Cc2ccc(C#N)cc2-3)c1)C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(C)[n+](C)c(-c2c(C)ccc3c2Cc2ccc(C#N)cc2-3)c1.[2H]C([2H])([2H])c1cc(C)[n+](C)c(-c2c(C)ccc3c2Cc2cccc(C#N)c2-3)c1.
What is the InChIKey of 8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile;8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-4-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-1-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-2-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile?
The InChIKey is VNQMPXRFZOGVFG-HVMYCZNNSA-N. The full InChI is InChI=1S/3C25H25N2.2C23H21N2/c1-15(2)20-10-17(4)27(5)24(13-20)25-16(3)6-9-21-22-11-18(14-26)7-8-19(22)12-23(21)25;1-15(2)19-10-17(4)27(5)24(13-19)25-16(3)6-8-22-21-9-7-18(14-26)11-20(21)12-23(22)25;1-15(2)19-11-17(4)27(5)24(12-19)25-16(3)9-10-21-20-8-6-7-18(14-26)22(20)13-23(21)25;1-14-9-16(3)25(4)22(10-14)23-15(2)5-8-19-20-11-17(13-24)6-7-18(20)12-21(19)23;1-14-10-16(3)25(4)21(11-14)22-15(2)8-9-19-20(22)12-17-6-5-7-18(13-24)23(17)19/h2*6-11,13,15H,12H2,1-5H3;6-12,15H,13H2,1-5H3;2*5-11H,12H2,1-4H3/q5*+1/i3*1D3,2D3,15D;2*1D3.
What are the key properties of 8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile;8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-4-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-1-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-2-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile?
8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile;8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-4-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-1-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-2-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile has a molecular weight of 1738.50 g/mol, XLogP of 25.18, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile;8-[1,6-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-fluorene-4-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-1-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-2-carbonitrile;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,6-dimethylpyridin-1-ium-2-yl]-7-methyl-9H-fluorene-3-carbonitrile is sourced from PubChem (CID 163861619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).