2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine

C31H23NO — CID 168731031

IUPAC2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1cnc(-c2cccc3c2oc2c(-c4ccc(-c5ccccc5)cc4)cccc23)cc1C([2H])([2H])[2H]
InChIInChI=1S/C31H23NO/c1-20-18-29(32-19-21(20)2)28-13-7-12-27-26-11-6-10-25(30(26)33-31(27)28)24-16-14-23(15-17-24)22-8-4-3-5-9-22/h3-19H,1-2H3/i1D3,2D3
InChIKeyOBNFLCHRZBUODG-WFGJKAKNSA-N
MW431.57 g/mol
LogP8.60
Rot. Bonds5

About 2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine

2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine (PubChem CID 168731031) has the molecular formula C31H23NO and a molecular weight of 431.57 g/mol. Its IUPAC name is 2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine
PubChem CID168731031
Molecular FormulaC31H23NO
Molecular Weight431.57 g/mol
Exact Mass431.22
IUPAC Name2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1cnc(-c2cccc3c2oc2c(-c4ccc(-c5ccccc5)cc4)cccc23)cc1C([2H])([2H])[2H]
InChIInChI=1S/C31H23NO/c1-20-18-29(32-19-21(20)2)28-13-7-12-27-26-11-6-10-25(30(26)33-31(27)28)24-16-14-23(15-17-24)22-8-4-3-5-9-22/h3-19H,1-2H3/i1D3,2D3
InChIKeyOBNFLCHRZBUODG-WFGJKAKNSA-N
XLogP8.60
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.57
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trimethyl-[4-[2-(6-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)-4-pyridinyl]-3-(trideuteriomethyl)phenyl]germane
CID 168743718
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
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
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)-4,5-bis(trideuteriomethyl)pyridine
CID 153450257
5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-18-(trideuteriomethyl)-3-oxa-17-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16(21),17,19-decaene
CID 176823661
8-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-20-(trideuteriomethyl)-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
CID 176823647
2-(1,1,2,3,3-pentadeuterio-2-phenylindeno[5,6-b][1]benzofuran-8-yl)-4,5-bis(trideuteriomethyl)pyridine
CID 162503576
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]-5-(trideuteriomethyl)pyridine
CID 156624479
trimethyl-[[2-naphtho[1,2-b][1]benzofuran-10-yl-5-(trideuteriomethyl)-4-pyridinyl]methyl]silane
CID 171724015
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-5-(trideuteriomethyl)pyridine;iridium;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 156624462
6-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-4-(tert-butyl-methyl-phenylsilyl)dibenzofuran-3-carbonitrile
CID 172542695
2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166577199

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine?
The IUPAC name of 2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine (CID 168731031) is 2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine.
What is the SMILES notation for 2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine?
The canonical SMILES for 2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1cnc(-c2cccc3c2oc2c(-c4ccc(-c5ccccc5)cc4)cccc23)cc1C([2H])([2H])[2H].
What is the InChIKey of 2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine?
The InChIKey is OBNFLCHRZBUODG-WFGJKAKNSA-N. The full InChI is InChI=1S/C31H23NO/c1-20-18-29(32-19-21(20)2)28-13-7-12-27-26-11-6-10-25(30(26)33-31(27)28)24-16-14-23(15-17-24)22-8-4-3-5-9-22/h3-19H,1-2H3/i1D3,2D3.
What are the key properties of 2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine?
2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine has a molecular weight of 431.57 g/mol, XLogP of 8.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine is sourced from PubChem (CID 168731031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).