4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9-phenyldibenzofuran-3-yl)pyridine

C28H25NO — CID 166573930

IUPAC4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9-phenyldibenzofuran-3-yl)pyridine
SMILES[2H]C([2H])(c1ccnc(-c2ccc3c(c2)oc2cccc(-c4ccccc4)c23)c1)C(C)(C)C
InChIInChI=1S/C28H25NO/c1-28(2,3)18-19-14-15-29-24(16-19)21-12-13-23-26(17-21)30-25-11-7-10-22(27(23)25)20-8-5-4-6-9-20/h4-17H,18H2,1-3H3/i18D2
InChIKeyYCWBUHUMXYJSER-CPLZMPMBSA-N
MW393.53 g/mol
LogP7.90
Rot. Bonds3

About 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9-phenyldibenzofuran-3-yl)pyridine

4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9-phenyldibenzofuran-3-yl)pyridine (PubChem CID 166573930) has the molecular formula C28H25NO and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9-phenyldibenzofuran-3-yl)pyridine.

Molecular Properties

Compound Name4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9-phenyldibenzofuran-3-yl)pyridine
PubChem CID166573930
Molecular FormulaC28H25NO
Molecular Weight393.53 g/mol
Exact Mass393.21
IUPAC Name4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9-phenyldibenzofuran-3-yl)pyridine
SMILES[2H]C([2H])(c1ccnc(-c2ccc3c(c2)oc2cccc(-c4ccccc4)c23)c1)C(C)(C)C
InChIInChI=1S/C28H25NO/c1-28(2,3)18-19-14-15-29-24(16-19)21-12-13-23-26(17-21)30-25-11-7-10-22(27(23)25)20-8-5-4-6-9-20/h4-17H,18H2,1-3H3/i18D2
InChIKeyYCWBUHUMXYJSER-CPLZMPMBSA-N
XLogP7.90
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9-phenyldibenzofuran-3-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 162707718
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine
CID 162707526
3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile
CID 170546352
4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 166578236
4-(2,2-dimethylpropyl)-2-(5-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-7-yl)pyridine
CID 164846155
2-phenyl-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797315
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798189
1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 174167645
4-(2-cyclopentylpropan-2-yl)-2-(9-phenyldibenzofuran-2-yl)pyridine
CID 166574902
4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-3-yl)pyridine
CID 166578919
2-(4-naphthalen-1-ylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797525
10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-h]quinoline
CID 172522712

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9-phenyldibenzofuran-3-yl)pyridine?
The IUPAC name of 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9-phenyldibenzofuran-3-yl)pyridine (CID 166573930) is 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9-phenyldibenzofuran-3-yl)pyridine.
What is the SMILES notation for 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9-phenyldibenzofuran-3-yl)pyridine?
The canonical SMILES for 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9-phenyldibenzofuran-3-yl)pyridine is [2H]C([2H])(c1ccnc(-c2ccc3c(c2)oc2cccc(-c4ccccc4)c23)c1)C(C)(C)C.
What is the InChIKey of 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9-phenyldibenzofuran-3-yl)pyridine?
The InChIKey is YCWBUHUMXYJSER-CPLZMPMBSA-N. The full InChI is InChI=1S/C28H25NO/c1-28(2,3)18-19-14-15-29-24(16-19)21-12-13-23-26(17-21)30-25-11-7-10-22(27(23)25)20-8-5-4-6-9-20/h4-17H,18H2,1-3H3/i18D2.
What are the key properties of 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9-phenyldibenzofuran-3-yl)pyridine?
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9-phenyldibenzofuran-3-yl)pyridine has a molecular weight of 393.53 g/mol, XLogP of 7.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9-phenyldibenzofuran-3-yl)pyridine is sourced from PubChem (CID 166573930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).