2-(3-dibenzofuran-2-yl-4-methylphenyl)-5-(trideuteriomethyl)pyridine

C25H19NO — CID 157495373

IUPAC2-(3-dibenzofuran-2-yl-4-methylphenyl)-5-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2ccc(C)c(-c3ccc4oc5ccccc5c4c3)c2)nc1
InChIInChI=1S/C25H19NO/c1-16-7-11-23(26-15-16)19-9-8-17(2)21(14-19)18-10-12-25-22(13-18)20-5-3-4-6-24(20)27-25/h3-15H,1-2H3/i1D3
InChIKeyPGILSBPNIARJEY-FIBGUPNXSA-N
MW352.45 g/mol
LogP6.93
Rot. Bonds3

About 2-(3-dibenzofuran-2-yl-4-methylphenyl)-5-(trideuteriomethyl)pyridine

2-(3-dibenzofuran-2-yl-4-methylphenyl)-5-(trideuteriomethyl)pyridine (PubChem CID 157495373) has the molecular formula C25H19NO and a molecular weight of 352.45 g/mol. Its IUPAC name is 2-(3-dibenzofuran-2-yl-4-methylphenyl)-5-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name2-(3-dibenzofuran-2-yl-4-methylphenyl)-5-(trideuteriomethyl)pyridine
PubChem CID157495373
Molecular FormulaC25H19NO
Molecular Weight352.45 g/mol
Exact Mass352.17
IUPAC Name2-(3-dibenzofuran-2-yl-4-methylphenyl)-5-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2ccc(C)c(-c3ccc4oc5ccccc5c4c3)c2)nc1
InChIInChI=1S/C25H19NO/c1-16-7-11-23(26-15-16)19-9-8-17(2)21(14-19)18-10-12-25-22(13-18)20-5-3-4-6-24(20)27-25/h3-15H,1-2H3/i1D3
InChIKeyPGILSBPNIARJEY-FIBGUPNXSA-N
XLogP6.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.45
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(trideuteriomethyl)-5-[2-(trideuteriomethyl)-5-[5-(trideuteriomethyl)-2-pyridinyl]phenyl]-1,3-benzoxazole
CID 156665243
26-methyl-4-[5-(trideuteriomethyl)-2-pyridinyl]-17-oxa-8-azahexacyclo[13.10.1.02,7.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene
CID 168766340
2-(2-methylphenyl)dibenzofuran
CID 118188503
4-[5-(trideuteriomethyl)-2-pyridinyl]-23-oxa-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene
CID 164803327
(6-dibenzofuran-2-yl-3-pyridinyl)-methyl-diphenylsilane
CID 140719613
2-[3-(4-dibenzofuran-2-ylphenyl)-4-methylphenyl]-4,6-diphenylpyrimidine
CID 174327712
19-[5-(trideuteriomethyl)-2-pyridinyl]-4-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.05,10.016,21.022,26]hexacosa-1(25),2(14),3(11),5,7,9,12,16(21),17,19,22(26),23-dodecaene
CID 164803382
2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;iridium
CID 58183919
5-(trideuteriomethyl)-2-[3-[2-(trideuteriomethyl)phenyl]phenyl]pyridine
CID 166502915
3-(3,5-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine
CID 140577687
2-(3,5-dimethylphenyl)-5-(trideuteriomethyl)pyridine
CID 164805039
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]-3-dibenzofuran-2-ylbenzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;iridium(3+)
CID 165148259

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-2-yl-4-methylphenyl)-5-(trideuteriomethyl)pyridine?
The IUPAC name of 2-(3-dibenzofuran-2-yl-4-methylphenyl)-5-(trideuteriomethyl)pyridine (CID 157495373) is 2-(3-dibenzofuran-2-yl-4-methylphenyl)-5-(trideuteriomethyl)pyridine.
What is the SMILES notation for 2-(3-dibenzofuran-2-yl-4-methylphenyl)-5-(trideuteriomethyl)pyridine?
The canonical SMILES for 2-(3-dibenzofuran-2-yl-4-methylphenyl)-5-(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1ccc(-c2ccc(C)c(-c3ccc4oc5ccccc5c4c3)c2)nc1.
What is the InChIKey of 2-(3-dibenzofuran-2-yl-4-methylphenyl)-5-(trideuteriomethyl)pyridine?
The InChIKey is PGILSBPNIARJEY-FIBGUPNXSA-N. The full InChI is InChI=1S/C25H19NO/c1-16-7-11-23(26-15-16)19-9-8-17(2)21(14-19)18-10-12-25-22(13-18)20-5-3-4-6-24(20)27-25/h3-15H,1-2H3/i1D3.
What are the key properties of 2-(3-dibenzofuran-2-yl-4-methylphenyl)-5-(trideuteriomethyl)pyridine?
2-(3-dibenzofuran-2-yl-4-methylphenyl)-5-(trideuteriomethyl)pyridine has a molecular weight of 352.45 g/mol, XLogP of 6.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzofuran-2-yl-4-methylphenyl)-5-(trideuteriomethyl)pyridine is sourced from PubChem (CID 157495373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).