4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine

C32H27NO — CID 166172190

IUPAC4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
SMILES[2H]c1cc(C([2H])([2H])C(C)(C)C)cc([2H])c1-c1ccnc(-c2cccc3c2oc2c4ccccc4ccc32)c1
InChIInChI=1S/C32H27NO/c1-32(2,3)20-21-11-13-22(14-12-21)24-17-18-33-29(19-24)28-10-6-9-26-27-16-15-23-7-4-5-8-25(23)30(27)34-31(26)28/h4-19H,20H2,1-3H3/i13D,14D,20D2
InChIKeyHGUMREAWQIWQFD-SHBSOSKVSA-N
MW445.60 g/mol
LogP9.06
Rot. Bonds3

About 4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine

4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine (PubChem CID 166172190) has the molecular formula C32H27NO and a molecular weight of 445.60 g/mol. Its IUPAC name is 4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine.

Molecular Properties

Compound Name4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
PubChem CID166172190
Molecular FormulaC32H27NO
Molecular Weight445.60 g/mol
Exact Mass445.23
IUPAC Name4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
SMILES[2H]c1cc(C([2H])([2H])C(C)(C)C)cc([2H])c1-c1ccnc(-c2cccc3c2oc2c4ccccc4ccc32)c1
InChIInChI=1S/C32H27NO/c1-32(2,3)20-21-11-13-22(14-12-21)24-17-18-33-29(19-24)28-10-6-9-26-27-16-15-23-7-4-5-8-25(23)30(27)34-31(26)28/h4-19H,20H2,1-3H3/i13D,14D,20D2
InChIKeyHGUMREAWQIWQFD-SHBSOSKVSA-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 ≤ 500445.60
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine with MolForge

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Related Compounds

4-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(trideuteriomethyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
CID 166043874
4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine
CID 166503077
10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-h]quinoline
CID 172522712
2-methyl-6-(2-naphtho[1,2-b][1]benzofuran-10-yl-4-pyridinyl)quinoline
CID 176779185
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 162707718
4-[2-(4-fluorophenyl)propan-2-yl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
CID 162707580
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(2-methyl-[1]benzothiolo[6,5-b][1]benzofuran-8-yl)pyridine
CID 168829154
3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile
CID 170546352
2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine
CID 166574499
4-(4-tert-butylphenyl)-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)pyridine
CID 166043906
2-(6-methyldibenzofuran-4-yl)-4-phenylpyridine
CID 140775821
10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[3,2-h]isoquinoline
CID 172522614

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine?
The IUPAC name of 4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine (CID 166172190) is 4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine.
What is the SMILES notation for 4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine?
The canonical SMILES for 4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine is [2H]c1cc(C([2H])([2H])C(C)(C)C)cc([2H])c1-c1ccnc(-c2cccc3c2oc2c4ccccc4ccc32)c1.
What is the InChIKey of 4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine?
The InChIKey is HGUMREAWQIWQFD-SHBSOSKVSA-N. The full InChI is InChI=1S/C32H27NO/c1-32(2,3)20-21-11-13-22(14-12-21)24-17-18-33-29(19-24)28-10-6-9-26-27-16-15-23-7-4-5-8-25(23)30(27)34-31(26)28/h4-19H,20H2,1-3H3/i13D,14D,20D2.
What are the key properties of 4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine?
4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine has a molecular weight of 445.60 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 4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine is sourced from PubChem (CID 166172190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).