3,4,5-trideuterio-1,2-dimethyl-6-(2,9,9-trimethylfluoren-3-yl)pyridin-1-ium

C23H24N+ — CID 157161561

IUPAC3,4,5-trideuterio-1,2-dimethyl-6-(2,9,9-trimethylfluoren-3-yl)pyridin-1-ium
SMILES[2H]c1c([2H])c(C)[n+](C)c(-c2cc3c(cc2C)C(C)(C)c2ccccc2-3)c1[2H]
InChIInChI=1S/C23H24N/c1-15-13-21-19(17-10-6-7-11-20(17)23(21,3)4)14-18(15)22-12-8-9-16(2)24(22)5/h6-14H,1-5H3/q+1/i8D,9D,12D
InChIKeyVIXUVMIQTFPRHP-CKQYYOLJSA-N
MW317.47 g/mol
LogP5.10
Rot. Bonds1

About 3,4,5-trideuterio-1,2-dimethyl-6-(2,9,9-trimethylfluoren-3-yl)pyridin-1-ium

3,4,5-trideuterio-1,2-dimethyl-6-(2,9,9-trimethylfluoren-3-yl)pyridin-1-ium (PubChem CID 157161561) has the molecular formula C23H24N+ and a molecular weight of 317.47 g/mol. Its IUPAC name is 3,4,5-trideuterio-1,2-dimethyl-6-(2,9,9-trimethylfluoren-3-yl)pyridin-1-ium.

Molecular Properties

Compound Name3,4,5-trideuterio-1,2-dimethyl-6-(2,9,9-trimethylfluoren-3-yl)pyridin-1-ium
PubChem CID157161561
Molecular FormulaC23H24N+
Molecular Weight317.47 g/mol
Exact Mass317.21
IUPAC Name3,4,5-trideuterio-1,2-dimethyl-6-(2,9,9-trimethylfluoren-3-yl)pyridin-1-ium
SMILES[2H]c1c([2H])c(C)[n+](C)c(-c2cc3c(cc2C)C(C)(C)c2ccccc2-3)c1[2H]
InChIInChI=1S/C23H24N/c1-15-13-21-19(17-10-6-7-11-20(17)23(21,3)4)14-18(15)22-12-8-9-16(2)24(22)5/h6-14H,1-5H3/q+1/i8D,9D,12D
InChIKeyVIXUVMIQTFPRHP-CKQYYOLJSA-N
XLogP5.10
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.47
LogP ≤ 55.10
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

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
1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium
CID 59306168
3-(2-ethylphenyl)-2,9,9-trimethylfluorene
CID 148907412
1,2-dideuterio-9,9-dimethylfluorene
CID 175772384
3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782429
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
12,12,28,28,44,44,60,60-octamethylheptadecacyclo[48.14.0.02,17.03,15.05,13.06,11.018,33.019,31.021,29.022,27.034,49.035,47.037,45.038,43.051,63.053,61.054,59]tetrahexaconta-1(50),2(17),3,5(13),6,8,10,14,18(33),19,21(29),22,24,26,30,34(49),35,37(45),38,40,42,46,51,53(61),54,56,58,62-octacosaene
CID 102210401
2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2,9,9-trimethyl-3-(2-methylphenyl)fluorene
CID 145324578
9,9-dimethylfluoren-2-amine;sulfane
CID 142283327
3-fluoro-9,9-dimethylfluorene
CID 130217991
1,6-bis(9,9-dimethylfluoren-3-yl)-3,8-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyrene
CID 156675158
2-(1-deuterio-3,9,9-trimethylfluoren-4-yl)-1,5-dimethylpyridin-1-ium
CID 158548447

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trideuterio-1,2-dimethyl-6-(2,9,9-trimethylfluoren-3-yl)pyridin-1-ium?
The IUPAC name of 3,4,5-trideuterio-1,2-dimethyl-6-(2,9,9-trimethylfluoren-3-yl)pyridin-1-ium (CID 157161561) is 3,4,5-trideuterio-1,2-dimethyl-6-(2,9,9-trimethylfluoren-3-yl)pyridin-1-ium.
What is the SMILES notation for 3,4,5-trideuterio-1,2-dimethyl-6-(2,9,9-trimethylfluoren-3-yl)pyridin-1-ium?
The canonical SMILES for 3,4,5-trideuterio-1,2-dimethyl-6-(2,9,9-trimethylfluoren-3-yl)pyridin-1-ium is [2H]c1c([2H])c(C)[n+](C)c(-c2cc3c(cc2C)C(C)(C)c2ccccc2-3)c1[2H].
What is the InChIKey of 3,4,5-trideuterio-1,2-dimethyl-6-(2,9,9-trimethylfluoren-3-yl)pyridin-1-ium?
The InChIKey is VIXUVMIQTFPRHP-CKQYYOLJSA-N. The full InChI is InChI=1S/C23H24N/c1-15-13-21-19(17-10-6-7-11-20(17)23(21,3)4)14-18(15)22-12-8-9-16(2)24(22)5/h6-14H,1-5H3/q+1/i8D,9D,12D.
What are the key properties of 3,4,5-trideuterio-1,2-dimethyl-6-(2,9,9-trimethylfluoren-3-yl)pyridin-1-ium?
3,4,5-trideuterio-1,2-dimethyl-6-(2,9,9-trimethylfluoren-3-yl)pyridin-1-ium has a molecular weight of 317.47 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trideuterio-1,2-dimethyl-6-(2,9,9-trimethylfluoren-3-yl)pyridin-1-ium is sourced from PubChem (CID 157161561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).