9-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methyl-9H-fluorene

C23H22 — CID 167648969

IUPAC9-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methyl-9H-fluorene
SMILES[2H]C([2H])([2H])c1cc(C)c(C2c3ccccc3-c3cccc(C)c32)cc1C
InChIInChI=1S/C23H22/c1-14-8-7-11-19-18-9-5-6-10-20(18)23(22(14)19)21-13-16(3)15(2)12-17(21)4/h5-13,23H,1-4H3/i2D3
InChIKeyNKBCCPAHVPLYOR-BMSJAHLVSA-N
MW301.45 g/mol
LogP6.08
Rot. Bonds2

About 9-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methyl-9H-fluorene

9-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methyl-9H-fluorene (PubChem CID 167648969) has the molecular formula C23H22 and a molecular weight of 301.45 g/mol. Its IUPAC name is 9-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methyl-9H-fluorene.

Molecular Properties

Compound Name9-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methyl-9H-fluorene
PubChem CID167648969
Molecular FormulaC23H22
Molecular Weight301.45 g/mol
Exact Mass301.19
IUPAC Name9-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methyl-9H-fluorene
SMILES[2H]C([2H])([2H])c1cc(C)c(C2c3ccccc3-c3cccc(C)c32)cc1C
InChIInChI=1S/C23H22/c1-14-8-7-11-19-18-9-5-6-10-20(18)23(22(14)19)21-13-16(3)15(2)12-17(21)4/h5-13,23H,1-4H3/i2D3
InChIKeyNKBCCPAHVPLYOR-BMSJAHLVSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.45
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methyl-9H-fluorene?
The IUPAC name of 9-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methyl-9H-fluorene (CID 167648969) is 9-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methyl-9H-fluorene.
What is the SMILES notation for 9-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methyl-9H-fluorene?
The canonical SMILES for 9-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methyl-9H-fluorene is [2H]C([2H])([2H])c1cc(C)c(C2c3ccccc3-c3cccc(C)c32)cc1C.
What is the InChIKey of 9-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methyl-9H-fluorene?
The InChIKey is NKBCCPAHVPLYOR-BMSJAHLVSA-N. The full InChI is InChI=1S/C23H22/c1-14-8-7-11-19-18-9-5-6-10-20(18)23(22(14)19)21-13-16(3)15(2)12-17(21)4/h5-13,23H,1-4H3/i2D3.
What are the key properties of 9-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methyl-9H-fluorene?
9-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methyl-9H-fluorene has a molecular weight of 301.45 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methyl-9H-fluorene is sourced from PubChem (CID 167648969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).