5-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-naphtho[2,1-b][1]benzofuran-8-yl-3-pyridinyl)pyridine

C31H26N2O — CID 166044166

IUPAC5-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-naphtho[2,1-b][1]benzofuran-8-yl-3-pyridinyl)pyridine
SMILES[2H]C([2H])(c1ccc(-c2ccc(-c3cccc4c3oc3ccc5ccccc5c34)nc2)nc1)C(C)(C)C
InChIInChI=1S/C31H26N2O/c1-31(2,3)17-20-11-14-26(32-18-20)22-12-15-27(33-19-22)24-9-6-10-25-29-23-8-5-4-7-21(23)13-16-28(29)34-30(24)25/h4-16,18-19H,17H2,1-3H3/i17D2
InChIKeyQWMOFUUPFDBTAI-FBCWWBABSA-N
MW444.57 g/mol
LogP8.45
Rot. Bonds3

About 5-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-naphtho[2,1-b][1]benzofuran-8-yl-3-pyridinyl)pyridine

5-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-naphtho[2,1-b][1]benzofuran-8-yl-3-pyridinyl)pyridine (PubChem CID 166044166) has the molecular formula C31H26N2O and a molecular weight of 444.57 g/mol. Its IUPAC name is 5-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-naphtho[2,1-b][1]benzofuran-8-yl-3-pyridinyl)pyridine.

Molecular Properties

Compound Name5-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-naphtho[2,1-b][1]benzofuran-8-yl-3-pyridinyl)pyridine
PubChem CID166044166
Molecular FormulaC31H26N2O
Molecular Weight444.57 g/mol
Exact Mass444.22
IUPAC Name5-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-naphtho[2,1-b][1]benzofuran-8-yl-3-pyridinyl)pyridine
SMILES[2H]C([2H])(c1ccc(-c2ccc(-c3cccc4c3oc3ccc5ccccc5c34)nc2)nc1)C(C)(C)C
InChIInChI=1S/C31H26N2O/c1-31(2,3)17-20-11-14-26(32-18-20)22-12-15-27(33-19-22)24-9-6-10-25-29-23-8-5-4-7-21(23)13-16-28(29)34-30(24)25/h4-16,18-19H,17H2,1-3H3/i17D2
InChIKeyQWMOFUUPFDBTAI-FBCWWBABSA-N
XLogP8.45
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.57
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-naphtho[2,1-b][1]benzofuran-8-yl-3-pyridinyl)pyridine with MolForge

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Related Compounds

5-[5-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium
CID 166044162
4-[5-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium
CID 166043891
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine
CID 162707526
CID 159253476
CID 159253476
2-phenyl-5-[1,1,2,2-tetradeuterio-2-[3-[1,1,2,2-tetradeuterio-2-[6-[8-deuterio-6-(1,1-dideuterio-2,2-dimethylpropyl)-7-fluorodibenzofuran-4-yl]-3-pyridinyl]ethyl]-5-[1,1,2,2-tetradeuterio-2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]pyridine
CID 170931237
2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine
CID 171576906
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 162707718
6-[5-[2-[3,5-bis[1,1-dideuterio-2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1-dideuterio-2-methylpropyl]-2-pyridinyl]-2,4-dideuteriodibenzofuran-3-carbonitrile
CID 170930644
4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
CID 166172190
4-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(trideuteriomethyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
CID 166043874
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(2-methyl-[1]benzothiolo[6,5-b][1]benzofuran-8-yl)pyridine
CID 168829154
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]-5-(trideuteriomethyl)pyridine
CID 156624479

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-naphtho[2,1-b][1]benzofuran-8-yl-3-pyridinyl)pyridine?
The IUPAC name of 5-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-naphtho[2,1-b][1]benzofuran-8-yl-3-pyridinyl)pyridine (CID 166044166) is 5-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-naphtho[2,1-b][1]benzofuran-8-yl-3-pyridinyl)pyridine.
What is the SMILES notation for 5-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-naphtho[2,1-b][1]benzofuran-8-yl-3-pyridinyl)pyridine?
The canonical SMILES for 5-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-naphtho[2,1-b][1]benzofuran-8-yl-3-pyridinyl)pyridine is [2H]C([2H])(c1ccc(-c2ccc(-c3cccc4c3oc3ccc5ccccc5c34)nc2)nc1)C(C)(C)C.
What is the InChIKey of 5-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-naphtho[2,1-b][1]benzofuran-8-yl-3-pyridinyl)pyridine?
The InChIKey is QWMOFUUPFDBTAI-FBCWWBABSA-N. The full InChI is InChI=1S/C31H26N2O/c1-31(2,3)17-20-11-14-26(32-18-20)22-12-15-27(33-19-22)24-9-6-10-25-29-23-8-5-4-7-21(23)13-16-28(29)34-30(24)25/h4-16,18-19H,17H2,1-3H3/i17D2.
What are the key properties of 5-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-naphtho[2,1-b][1]benzofuran-8-yl-3-pyridinyl)pyridine?
5-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-naphtho[2,1-b][1]benzofuran-8-yl-3-pyridinyl)pyridine has a molecular weight of 444.57 g/mol, XLogP of 8.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-naphtho[2,1-b][1]benzofuran-8-yl-3-pyridinyl)pyridine is sourced from PubChem (CID 166044166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).