4-phenyl-2-[6-(2-phenylpropan-2-yl)-8-(trideuteriomethyl)dibenzofuran-2-yl]pyridine

C33H27NO — CID 162709684

IUPAC4-phenyl-2-[6-(2-phenylpropan-2-yl)-8-(trideuteriomethyl)dibenzofuran-2-yl]pyridine
SMILES[2H]C([2H])([2H])c1cc(C(C)(C)c2ccccc2)c2oc3ccc(-c4cc(-c5ccccc5)ccn4)cc3c2c1
InChIInChI=1S/C33H27NO/c1-22-18-28-27-20-25(30-21-24(16-17-34-30)23-10-6-4-7-11-23)14-15-31(27)35-32(28)29(19-22)33(2,3)26-12-8-5-9-13-26/h4-21H,1-3H3/i1D3
InChIKeySIKWCJJJJYIEEO-FIBGUPNXSA-N
MW456.60 g/mol
LogP8.95
Rot. Bonds5

About 4-phenyl-2-[6-(2-phenylpropan-2-yl)-8-(trideuteriomethyl)dibenzofuran-2-yl]pyridine

4-phenyl-2-[6-(2-phenylpropan-2-yl)-8-(trideuteriomethyl)dibenzofuran-2-yl]pyridine (PubChem CID 162709684) has the molecular formula C33H27NO and a molecular weight of 456.60 g/mol. Its IUPAC name is 4-phenyl-2-[6-(2-phenylpropan-2-yl)-8-(trideuteriomethyl)dibenzofuran-2-yl]pyridine.

Molecular Properties

Compound Name4-phenyl-2-[6-(2-phenylpropan-2-yl)-8-(trideuteriomethyl)dibenzofuran-2-yl]pyridine
PubChem CID162709684
Molecular FormulaC33H27NO
Molecular Weight456.60 g/mol
Exact Mass456.23
IUPAC Name4-phenyl-2-[6-(2-phenylpropan-2-yl)-8-(trideuteriomethyl)dibenzofuran-2-yl]pyridine
SMILES[2H]C([2H])([2H])c1cc(C(C)(C)c2ccccc2)c2oc3ccc(-c4cc(-c5ccccc5)ccn4)cc3c2c1
InChIInChI=1S/C33H27NO/c1-22-18-28-27-20-25(30-21-24(16-17-34-30)23-10-6-4-7-11-23)14-15-31(27)35-32(28)29(19-22)33(2,3)26-12-8-5-9-13-26/h4-21H,1-3H3/i1D3
InChIKeySIKWCJJJJYIEEO-FIBGUPNXSA-N
XLogP8.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.60
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155610550
4-(4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]phenyl]pyridine
CID 159742768
2-phenyl-6-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155611962
4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine
CID 166574655
2-(8-phenyldibenzofuran-2-yl)pyridine-4-carbonitrile
CID 118397985
4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 166578236
2-[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]pyridine
CID 153423338
4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155611009
2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-4-(2-phenylpropan-2-yl)pyridine
CID 162707939
2-(9,10-diphenylanthracen-2-yl)-4-phenylpyridine
CID 59722107
2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine
CID 166573759
6-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-1-methyl-3-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine
CID 163648243

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[6-(2-phenylpropan-2-yl)-8-(trideuteriomethyl)dibenzofuran-2-yl]pyridine?
The IUPAC name of 4-phenyl-2-[6-(2-phenylpropan-2-yl)-8-(trideuteriomethyl)dibenzofuran-2-yl]pyridine (CID 162709684) is 4-phenyl-2-[6-(2-phenylpropan-2-yl)-8-(trideuteriomethyl)dibenzofuran-2-yl]pyridine.
What is the SMILES notation for 4-phenyl-2-[6-(2-phenylpropan-2-yl)-8-(trideuteriomethyl)dibenzofuran-2-yl]pyridine?
The canonical SMILES for 4-phenyl-2-[6-(2-phenylpropan-2-yl)-8-(trideuteriomethyl)dibenzofuran-2-yl]pyridine is [2H]C([2H])([2H])c1cc(C(C)(C)c2ccccc2)c2oc3ccc(-c4cc(-c5ccccc5)ccn4)cc3c2c1.
What is the InChIKey of 4-phenyl-2-[6-(2-phenylpropan-2-yl)-8-(trideuteriomethyl)dibenzofuran-2-yl]pyridine?
The InChIKey is SIKWCJJJJYIEEO-FIBGUPNXSA-N. The full InChI is InChI=1S/C33H27NO/c1-22-18-28-27-20-25(30-21-24(16-17-34-30)23-10-6-4-7-11-23)14-15-31(27)35-32(28)29(19-22)33(2,3)26-12-8-5-9-13-26/h4-21H,1-3H3/i1D3.
What are the key properties of 4-phenyl-2-[6-(2-phenylpropan-2-yl)-8-(trideuteriomethyl)dibenzofuran-2-yl]pyridine?
4-phenyl-2-[6-(2-phenylpropan-2-yl)-8-(trideuteriomethyl)dibenzofuran-2-yl]pyridine has a molecular weight of 456.60 g/mol, XLogP of 8.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[6-(2-phenylpropan-2-yl)-8-(trideuteriomethyl)dibenzofuran-2-yl]pyridine is sourced from PubChem (CID 162709684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).