4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)-9H-fluoren-1-yl]pyridine

C21H19N — CID 158916359

IUPAC4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)-9H-fluoren-1-yl]pyridine
SMILES[2H]C([2H])([2H])c1cnc(-c2ccc(C([2H])([2H])[2H])c3c2Cc2ccccc2-3)cc1C([2H])([2H])[2H]
InChIInChI=1S/C21H19N/c1-13-8-9-18(20-10-14(2)15(3)12-22-20)19-11-16-6-4-5-7-17(16)21(13)19/h4-10,12H,11H2,1-3H3/i1D3,2D3,3D3
InChIKeyQBULLJGNXALTJJ-GQALSZNTSA-N
MW294.44 g/mol
LogP5.25
Rot. Bonds4

About 4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)-9H-fluoren-1-yl]pyridine

4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)-9H-fluoren-1-yl]pyridine (PubChem CID 158916359) has the molecular formula C21H19N and a molecular weight of 294.44 g/mol. Its IUPAC name is 4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)-9H-fluoren-1-yl]pyridine.

Molecular Properties

Compound Name4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)-9H-fluoren-1-yl]pyridine
PubChem CID158916359
Molecular FormulaC21H19N
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)-9H-fluoren-1-yl]pyridine
SMILES[2H]C([2H])([2H])c1cnc(-c2ccc(C([2H])([2H])[2H])c3c2Cc2ccccc2-3)cc1C([2H])([2H])[2H]
InChIInChI=1S/C21H19N/c1-13-8-9-18(20-10-14(2)15(3)12-22-20)19-11-16-6-4-5-7-17(16)21(13)19/h4-10,12H,11H2,1-3H3/i1D3,2D3,3D3
InChIKeyQBULLJGNXALTJJ-GQALSZNTSA-N
XLogP5.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-deuteriocyclohexyl)-2-(9H-fluoren-1-yl)-5-(trideuteriomethyl)pyridine
CID 158675246
2-(2,6-dimethyl-3-pyridinyl)-4,5-bis(trideuteriomethyl)pyridine
CID 169300686
2-[2,6-bis(trideuteriomethyl)-3-pyridinyl]-4,5-bis(trideuteriomethyl)pyridine
CID 169300642
bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane
CID 160769436
2-(9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)-4,5-bis(trideuteriomethyl)pyridine
CID 169291839
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
9-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-6-(trideuteriomethyl)-[1]benzofuro[3,2-b]quinoline
CID 166565447
2,3-dideuterio-1,4-bis(trideuteriomethyl)-10H-anthracen-9-one
CID 100914038
2-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)-4,5-bis(trideuteriomethyl)pyridine
CID 153450230
[6-(9H-fluoren-1-yl)-3-pyridinyl]-trimethylgermane
CID 167332176
1,2-bis(2-methylphenyl)-9H-fluorene
CID 23369064
2-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)-4,5-bis(trideuteriomethyl)pyridine
CID 176814936

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)-9H-fluoren-1-yl]pyridine?
The IUPAC name of 4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)-9H-fluoren-1-yl]pyridine (CID 158916359) is 4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)-9H-fluoren-1-yl]pyridine.
What is the SMILES notation for 4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)-9H-fluoren-1-yl]pyridine?
The canonical SMILES for 4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)-9H-fluoren-1-yl]pyridine is [2H]C([2H])([2H])c1cnc(-c2ccc(C([2H])([2H])[2H])c3c2Cc2ccccc2-3)cc1C([2H])([2H])[2H].
What is the InChIKey of 4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)-9H-fluoren-1-yl]pyridine?
The InChIKey is QBULLJGNXALTJJ-GQALSZNTSA-N. The full InChI is InChI=1S/C21H19N/c1-13-8-9-18(20-10-14(2)15(3)12-22-20)19-11-16-6-4-5-7-17(16)21(13)19/h4-10,12H,11H2,1-3H3/i1D3,2D3,3D3.
What are the key properties of 4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)-9H-fluoren-1-yl]pyridine?
4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)-9H-fluoren-1-yl]pyridine has a molecular weight of 294.44 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)-9H-fluoren-1-yl]pyridine is sourced from PubChem (CID 158916359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).