2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-naphtho[2,3-b][1]benzofuran-4-yl-3-phenylpyridine

C32H27NO — CID 176623926

IUPAC2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-naphtho[2,3-b][1]benzofuran-4-yl-3-phenylpyridine
SMILES[2H]c1nc(-c2cccc3c2oc2cc4ccccc4cc23)cc(C([2H])([2H])C(C)(C)C)c1-c1ccccc1
InChIInChI=1S/C32H27NO/c1-32(2,3)19-24-17-29(33-20-28(24)21-10-5-4-6-11-21)26-15-9-14-25-27-16-22-12-7-8-13-23(22)18-30(27)34-31(25)26/h4-18,20H,19H2,1-3H3/i19D2,20D
InChIKeyQQYASNSOIWHPMH-HRDPVCEYSA-N
MW444.59 g/mol
LogP9.06
Rot. Bonds3

About 2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-naphtho[2,3-b][1]benzofuran-4-yl-3-phenylpyridine

2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-naphtho[2,3-b][1]benzofuran-4-yl-3-phenylpyridine (PubChem CID 176623926) has the molecular formula C32H27NO and a molecular weight of 444.59 g/mol. Its IUPAC name is 2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-naphtho[2,3-b][1]benzofuran-4-yl-3-phenylpyridine.

Molecular Properties

Compound Name2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-naphtho[2,3-b][1]benzofuran-4-yl-3-phenylpyridine
PubChem CID176623926
Molecular FormulaC32H27NO
Molecular Weight444.59 g/mol
Exact Mass444.23
IUPAC Name2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-naphtho[2,3-b][1]benzofuran-4-yl-3-phenylpyridine
SMILES[2H]c1nc(-c2cccc3c2oc2cc4ccccc4cc23)cc(C([2H])([2H])C(C)(C)C)c1-c1ccccc1
InChIInChI=1S/C32H27NO/c1-32(2,3)19-24-17-29(33-20-28(24)21-10-5-4-6-11-21)26-15-9-14-25-27-16-22-12-7-8-13-23(22)18-30(27)34-31(25)26/h4-18,20H,19H2,1-3H3/i19D2,20D
InChIKeyQQYASNSOIWHPMH-HRDPVCEYSA-N
XLogP9.06
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.59
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-naphtho[2,3-b][1]benzofuran-4-yl-3-phenylpyridine with MolForge

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Related Compounds

2-deuterio-4-(2,2-dimethylpropyl)-3-methyl-6-naphtho[2,3-b][1]benzofuran-4-ylpyridine
CID 176623928
2,5-dideuterio-4-(2,2-dimethylpropyl)-6-naphtho[2,3-b][1]benzofuran-4-yl-3-(trideuteriomethyl)pyridine
CID 176623936
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]-5-(trideuteriomethyl)pyridine
CID 156624479
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-5-yl)-5-(trideuteriomethyl)pyridine
CID 153490155
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 162707718
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-5-(trideuteriomethyl)pyridine
CID 153428694
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2,5-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-3-phenylpyridine;iridium
CID 176623987
2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine
CID 159485403
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-5-(trideuteriomethyl)pyridine
CID 162710412
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(1-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)pyridine
CID 166575779
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(2-methyl-[1]benzothiolo[6,5-b][1]benzofuran-8-yl)pyridine
CID 168829154
CID 176623920
CID 176623920

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-naphtho[2,3-b][1]benzofuran-4-yl-3-phenylpyridine?
The IUPAC name of 2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-naphtho[2,3-b][1]benzofuran-4-yl-3-phenylpyridine (CID 176623926) is 2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-naphtho[2,3-b][1]benzofuran-4-yl-3-phenylpyridine.
What is the SMILES notation for 2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-naphtho[2,3-b][1]benzofuran-4-yl-3-phenylpyridine?
The canonical SMILES for 2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-naphtho[2,3-b][1]benzofuran-4-yl-3-phenylpyridine is [2H]c1nc(-c2cccc3c2oc2cc4ccccc4cc23)cc(C([2H])([2H])C(C)(C)C)c1-c1ccccc1.
What is the InChIKey of 2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-naphtho[2,3-b][1]benzofuran-4-yl-3-phenylpyridine?
The InChIKey is QQYASNSOIWHPMH-HRDPVCEYSA-N. The full InChI is InChI=1S/C32H27NO/c1-32(2,3)19-24-17-29(33-20-28(24)21-10-5-4-6-11-21)26-15-9-14-25-27-16-22-12-7-8-13-23(22)18-30(27)34-31(25)26/h4-18,20H,19H2,1-3H3/i19D2,20D.
What are the key properties of 2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-naphtho[2,3-b][1]benzofuran-4-yl-3-phenylpyridine?
2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-naphtho[2,3-b][1]benzofuran-4-yl-3-phenylpyridine has a molecular weight of 444.59 g/mol, XLogP of 9.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-naphtho[2,3-b][1]benzofuran-4-yl-3-phenylpyridine is sourced from PubChem (CID 176623926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).