4-(2-deuteriopropan-2-yl)-2-[9-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine

C27H23NO — CID 162708909

IUPAC4-(2-deuteriopropan-2-yl)-2-[9-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2cccc3c2oc2cccc(C([2H])([2H])c4ccccc4)c23)c1
InChIInChI=1S/C27H23NO/c1-18(2)20-14-15-28-24(17-20)22-11-7-12-23-26-21(16-19-8-4-3-5-9-19)10-6-13-25(26)29-27(22)23/h3-15,17-18H,16H2,1-2H3/i16D2,18D
InChIKeyWAXBVCRBMOQAHW-BQYXMFEKSA-N
MW380.51 g/mol
LogP7.36
Rot. Bonds4

About 4-(2-deuteriopropan-2-yl)-2-[9-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine

4-(2-deuteriopropan-2-yl)-2-[9-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine (PubChem CID 162708909) has the molecular formula C27H23NO and a molecular weight of 380.51 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-[9-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine.

Molecular Properties

Compound Name4-(2-deuteriopropan-2-yl)-2-[9-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine
PubChem CID162708909
Molecular FormulaC27H23NO
Molecular Weight380.51 g/mol
Exact Mass380.20
IUPAC Name4-(2-deuteriopropan-2-yl)-2-[9-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2cccc3c2oc2cccc(C([2H])([2H])c4ccccc4)c23)c1
InChIInChI=1S/C27H23NO/c1-18(2)20-14-15-28-24(17-20)22-11-7-12-23-26-21(16-19-8-4-3-5-9-19)10-6-13-25(26)29-27(22)23/h3-15,17-18H,16H2,1-2H3/i16D2,18D
InChIKeyWAXBVCRBMOQAHW-BQYXMFEKSA-N
XLogP7.36
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-deuteriopropan-2-yl)-2-[9-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine with MolForge

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Related Compounds

4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine
CID 166573663
4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 166575304
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine
CID 162708190
2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine
CID 162707337
2-dibenzofuran-4-yl-4-[dideuterio(phenyl)methyl]pyridine
CID 162707858
2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine
CID 165169386
4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-dibenzofuran-4-ylpyridine
CID 177279356
4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine
CID 166573548
3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine
CID 155610525
4-[dideuterio(phenyl)methyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine
CID 162710303

Frequently Asked Questions

What is the IUPAC name of 4-(2-deuteriopropan-2-yl)-2-[9-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine?
The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-[9-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine (CID 162708909) is 4-(2-deuteriopropan-2-yl)-2-[9-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine.
What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-[9-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine?
The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-[9-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine is [2H]C(C)(C)c1ccnc(-c2cccc3c2oc2cccc(C([2H])([2H])c4ccccc4)c23)c1.
What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-[9-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine?
The InChIKey is WAXBVCRBMOQAHW-BQYXMFEKSA-N. The full InChI is InChI=1S/C27H23NO/c1-18(2)20-14-15-28-24(17-20)22-11-7-12-23-26-21(16-19-8-4-3-5-9-19)10-6-13-25(26)29-27(22)23/h3-15,17-18H,16H2,1-2H3/i16D2,18D.
What are the key properties of 4-(2-deuteriopropan-2-yl)-2-[9-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine?
4-(2-deuteriopropan-2-yl)-2-[9-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine has a molecular weight of 380.51 g/mol, XLogP of 7.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-deuteriopropan-2-yl)-2-[9-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine is sourced from PubChem (CID 162708909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).