3-(1-deuteriocyclohexyl)-1-phenyl-8-pyridin-2-yl-[1]benzofuro[2,3-c]pyridine

C28H24N2O — CID 176645972

IUPAC3-(1-deuteriocyclohexyl)-1-phenyl-8-pyridin-2-yl-[1]benzofuro[2,3-c]pyridine
SMILES[2H]C1(c2cc3c(oc4c(-c5ccccn5)cccc43)c(-c3ccccc3)n2)CCCCC1
InChIInChI=1S/C28H24N2O/c1-3-10-19(11-4-1)25-18-23-21-14-9-15-22(24-16-7-8-17-29-24)27(21)31-28(23)26(30-25)20-12-5-2-6-13-20/h2,5-9,12-19H,1,3-4,10-11H2/i19D
InChIKeyWKMWJWQUIUVPIS-YUIGOLOMSA-N
MW405.52 g/mol
LogP7.76
Rot. Bonds3

About 3-(1-deuteriocyclohexyl)-1-phenyl-8-pyridin-2-yl-[1]benzofuro[2,3-c]pyridine

3-(1-deuteriocyclohexyl)-1-phenyl-8-pyridin-2-yl-[1]benzofuro[2,3-c]pyridine (PubChem CID 176645972) has the molecular formula C28H24N2O and a molecular weight of 405.52 g/mol. Its IUPAC name is 3-(1-deuteriocyclohexyl)-1-phenyl-8-pyridin-2-yl-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name3-(1-deuteriocyclohexyl)-1-phenyl-8-pyridin-2-yl-[1]benzofuro[2,3-c]pyridine
PubChem CID176645972
Molecular FormulaC28H24N2O
Molecular Weight405.52 g/mol
Exact Mass405.20
IUPAC Name3-(1-deuteriocyclohexyl)-1-phenyl-8-pyridin-2-yl-[1]benzofuro[2,3-c]pyridine
SMILES[2H]C1(c2cc3c(oc4c(-c5ccccn5)cccc43)c(-c3ccccc3)n2)CCCCC1
InChIInChI=1S/C28H24N2O/c1-3-10-19(11-4-1)25-18-23-21-14-9-15-22(24-16-7-8-17-29-24)27(21)31-28(23)26(30-25)20-12-5-2-6-13-20/h2,5-9,12-19H,1,3-4,10-11H2/i19D
InChIKeyWKMWJWQUIUVPIS-YUIGOLOMSA-N
XLogP7.76
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 166573869
2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine
CID 165385994
2-dibenzofuran-4-ylpyridine
CID 59500175
4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 155611017
4-(3-cyanophenyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 166043478
3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline
CID 172522612
2-(6,8-diethyldibenzofuran-4-yl)pyridine
CID 176637470
6-[5-[2-[3,5-bis[1,1,2,2-tetradeuterio-2-(6-phenyl-3-pyridinyl)ethyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-pyridinyl]-3-(1-deuteriocyclopentyl)dibenzofuran-4-carbonitrile
CID 170930787
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
2-phenyl-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]pyridine
CID 171761185
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
2-(6-methyldibenzofuran-4-yl)-4-phenylpyridine
CID 140775821

Frequently Asked Questions

What is the IUPAC name of 3-(1-deuteriocyclohexyl)-1-phenyl-8-pyridin-2-yl-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 3-(1-deuteriocyclohexyl)-1-phenyl-8-pyridin-2-yl-[1]benzofuro[2,3-c]pyridine (CID 176645972) is 3-(1-deuteriocyclohexyl)-1-phenyl-8-pyridin-2-yl-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 3-(1-deuteriocyclohexyl)-1-phenyl-8-pyridin-2-yl-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 3-(1-deuteriocyclohexyl)-1-phenyl-8-pyridin-2-yl-[1]benzofuro[2,3-c]pyridine is [2H]C1(c2cc3c(oc4c(-c5ccccn5)cccc43)c(-c3ccccc3)n2)CCCCC1.
What is the InChIKey of 3-(1-deuteriocyclohexyl)-1-phenyl-8-pyridin-2-yl-[1]benzofuro[2,3-c]pyridine?
The InChIKey is WKMWJWQUIUVPIS-YUIGOLOMSA-N. The full InChI is InChI=1S/C28H24N2O/c1-3-10-19(11-4-1)25-18-23-21-14-9-15-22(24-16-7-8-17-29-24)27(21)31-28(23)26(30-25)20-12-5-2-6-13-20/h2,5-9,12-19H,1,3-4,10-11H2/i19D.
What are the key properties of 3-(1-deuteriocyclohexyl)-1-phenyl-8-pyridin-2-yl-[1]benzofuro[2,3-c]pyridine?
3-(1-deuteriocyclohexyl)-1-phenyl-8-pyridin-2-yl-[1]benzofuro[2,3-c]pyridine has a molecular weight of 405.52 g/mol, XLogP of 7.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-deuteriocyclohexyl)-1-phenyl-8-pyridin-2-yl-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 176645972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).