2-phenyl-5-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

C24H18N2O — CID 155610894

IUPAC2-phenyl-5-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C([2H])([2H])c1ccnc(-c2ccc(C([2H])([2H])[2H])c3c2oc2nc(-c4ccccc4)ccc23)c1
InChIInChI=1S/C24H18N2O/c1-15-12-13-25-21(14-15)18-9-8-16(2)22-19-10-11-20(17-6-4-3-5-7-17)26-24(19)27-23(18)22/h3-14H,1-2H3/i1D3,2D3
InChIKeyOOWWMQCAIHTUID-WFGJKAKNSA-N
MW356.46 g/mol
LogP6.33
Rot. Bonds4

About 2-phenyl-5-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

2-phenyl-5-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 155610894) has the molecular formula C24H18N2O and a molecular weight of 356.46 g/mol. Its IUPAC name is 2-phenyl-5-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-phenyl-5-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID155610894
Molecular FormulaC24H18N2O
Molecular Weight356.46 g/mol
Exact Mass356.18
IUPAC Name2-phenyl-5-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C([2H])([2H])c1ccnc(-c2ccc(C([2H])([2H])[2H])c3c2oc2nc(-c4ccccc4)ccc23)c1
InChIInChI=1S/C24H18N2O/c1-15-12-13-25-21(14-15)18-9-8-16(2)22-19-10-11-20(17-6-4-3-5-7-17)26-24(19)27-23(18)22/h3-14H,1-2H3/i1D3,2D3
InChIKeyOOWWMQCAIHTUID-WFGJKAKNSA-N
XLogP6.33
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.46
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155610853
2-phenyl-6-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155611962
8-pyridin-2-yl-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 122419767
8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 155610719
5-methyl-8-pyridin-2-yl-2-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 155611770
8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 155610691
2-(3-fluorophenyl)-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155612353
2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine
CID 166573759
4-methyl-2-(1-methyldibenzofuran-4-yl)pyridine
CID 171576824
8-[4-[1-(2-bicyclo[2.2.2]octanyl)-1-deuterioethyl]-2-pyridinyl]-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 171436078
4-methoxy-2-[8-(trideuteriomethyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-5-yl]pyridine
CID 176873980
2-tert-butyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 157295231

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-phenyl-5-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (CID 155610894) is 2-phenyl-5-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-phenyl-5-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-phenyl-5-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is [2H]C([2H])([2H])c1ccnc(-c2ccc(C([2H])([2H])[2H])c3c2oc2nc(-c4ccccc4)ccc23)c1.
What is the InChIKey of 2-phenyl-5-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is OOWWMQCAIHTUID-WFGJKAKNSA-N. The full InChI is InChI=1S/C24H18N2O/c1-15-12-13-25-21(14-15)18-9-8-16(2)22-19-10-11-20(17-6-4-3-5-7-17)26-24(19)27-23(18)22/h3-14H,1-2H3/i1D3,2D3.
What are the key properties of 2-phenyl-5-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
2-phenyl-5-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 356.46 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 155610894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).