4-(1-deuteriocyclohexyl)-2-(9H-fluoren-1-yl)-5-(trideuteriomethyl)pyridine

C25H25N — CID 158675246

IUPAC4-(1-deuteriocyclohexyl)-2-(9H-fluoren-1-yl)-5-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1cnc(-c2cccc3c2Cc2ccccc2-3)cc1C1([2H])CCCCC1
InChIInChI=1S/C25H25N/c1-17-16-26-25(15-23(17)18-8-3-2-4-9-18)22-13-7-12-21-20-11-6-5-10-19(20)14-24(21)22/h5-7,10-13,15-16,18H,2-4,8-9,14H2,1H3/i1D3,18D
InChIKeyFRLNAAUMSDTBOW-MAOWXWBLSA-N
MW343.51 g/mol
LogP6.68
Rot. Bonds3

About 4-(1-deuteriocyclohexyl)-2-(9H-fluoren-1-yl)-5-(trideuteriomethyl)pyridine

4-(1-deuteriocyclohexyl)-2-(9H-fluoren-1-yl)-5-(trideuteriomethyl)pyridine (PubChem CID 158675246) has the molecular formula C25H25N and a molecular weight of 343.51 g/mol. Its IUPAC name is 4-(1-deuteriocyclohexyl)-2-(9H-fluoren-1-yl)-5-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name4-(1-deuteriocyclohexyl)-2-(9H-fluoren-1-yl)-5-(trideuteriomethyl)pyridine
PubChem CID158675246
Molecular FormulaC25H25N
Molecular Weight343.51 g/mol
Exact Mass343.22
IUPAC Name4-(1-deuteriocyclohexyl)-2-(9H-fluoren-1-yl)-5-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1cnc(-c2cccc3c2Cc2ccccc2-3)cc1C1([2H])CCCCC1
InChIInChI=1S/C25H25N/c1-17-16-26-25(15-23(17)18-8-3-2-4-9-18)22-13-7-12-21-20-11-6-5-10-19(20)14-24(21)22/h5-7,10-13,15-16,18H,2-4,8-9,14H2,1H3/i1D3,18D
InChIKeyFRLNAAUMSDTBOW-MAOWXWBLSA-N
XLogP6.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)-9H-fluoren-1-yl]pyridine
CID 158916359
4-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;5-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-4-(trideuteriomethyl)pyridine;4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine;tris(iridium);4-methyl-2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine)
CID 159265887
4-(3-deuteriospiro[5.5]undecan-3-yl)-2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)-5-(trideuteriomethyl)pyridine
CID 176583641
[6-(9H-fluoren-1-yl)-3-pyridinyl]-trimethylgermane
CID 167332176
4-(3-deuteriospiro[5.5]undecan-3-yl)-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)-5-(trideuteriomethyl)pyridine
CID 176846616
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
2-(1-cyclohexyl-1,3,3-trideuterio-2H-indeno[5,6-b][1]benzofuran-8-yl)-4,5-bis(trideuteriomethyl)pyridine
CID 162503562
4-[4-[4-(1-deuteriocyclopentyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-yl-5-(trideuteriomethyl)pyridine
CID 158314441
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
2,9-bis(9H-fluoren-1-yl)-4,7-diphenyl-1,10-phenanthroline
CID 69433443
4-[4-[4-(1-deuteriocyclopentyl)-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-yl-5-(trideuteriomethyl)pyridine
CID 157360237

Frequently Asked Questions

What is the IUPAC name of 4-(1-deuteriocyclohexyl)-2-(9H-fluoren-1-yl)-5-(trideuteriomethyl)pyridine?
The IUPAC name of 4-(1-deuteriocyclohexyl)-2-(9H-fluoren-1-yl)-5-(trideuteriomethyl)pyridine (CID 158675246) is 4-(1-deuteriocyclohexyl)-2-(9H-fluoren-1-yl)-5-(trideuteriomethyl)pyridine.
What is the SMILES notation for 4-(1-deuteriocyclohexyl)-2-(9H-fluoren-1-yl)-5-(trideuteriomethyl)pyridine?
The canonical SMILES for 4-(1-deuteriocyclohexyl)-2-(9H-fluoren-1-yl)-5-(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1cnc(-c2cccc3c2Cc2ccccc2-3)cc1C1([2H])CCCCC1.
What is the InChIKey of 4-(1-deuteriocyclohexyl)-2-(9H-fluoren-1-yl)-5-(trideuteriomethyl)pyridine?
The InChIKey is FRLNAAUMSDTBOW-MAOWXWBLSA-N. The full InChI is InChI=1S/C25H25N/c1-17-16-26-25(15-23(17)18-8-3-2-4-9-18)22-13-7-12-21-20-11-6-5-10-19(20)14-24(21)22/h5-7,10-13,15-16,18H,2-4,8-9,14H2,1H3/i1D3,18D.
What are the key properties of 4-(1-deuteriocyclohexyl)-2-(9H-fluoren-1-yl)-5-(trideuteriomethyl)pyridine?
4-(1-deuteriocyclohexyl)-2-(9H-fluoren-1-yl)-5-(trideuteriomethyl)pyridine has a molecular weight of 343.51 g/mol, XLogP of 6.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-deuteriocyclohexyl)-2-(9H-fluoren-1-yl)-5-(trideuteriomethyl)pyridine is sourced from PubChem (CID 158675246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).