4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine

C28H25NO — CID 162707718

IUPAC4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine
SMILES[2H]C([2H])(c1ccnc(-c2cccc3c2oc2cc(-c4ccccc4)ccc23)c1)C(C)(C)C
InChIInChI=1S/C28H25NO/c1-28(2,3)18-19-14-15-29-25(16-19)24-11-7-10-23-22-13-12-21(17-26(22)30-27(23)24)20-8-5-4-6-9-20/h4-17H,18H2,1-3H3/i18D2
InChIKeyROPGYDTVJQQYEE-CPLZMPMBSA-N
MW393.53 g/mol
LogP7.90
Rot. Bonds3

About 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine

4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine (PubChem CID 162707718) 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-(7-phenyldibenzofuran-4-yl)pyridine.

Molecular Properties

Compound Name4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine
PubChem CID162707718
Molecular FormulaC28H25NO
Molecular Weight393.53 g/mol
Exact Mass393.21
IUPAC Name4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine
SMILES[2H]C([2H])(c1ccnc(-c2cccc3c2oc2cc(-c4ccccc4)ccc23)c1)C(C)(C)C
InChIInChI=1S/C28H25NO/c1-28(2,3)18-19-14-15-29-25(16-19)24-11-7-10-23-22-13-12-21(17-26(22)30-27(23)24)20-8-5-4-6-9-20/h4-17H,18H2,1-3H3/i18D2
InChIKeyROPGYDTVJQQYEE-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

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Related Compounds

3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile
CID 170546352
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]-5-(trideuteriomethyl)pyridine
CID 156624479
4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 155611017
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9-phenyldibenzofuran-3-yl)pyridine
CID 166573930
2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine
CID 166573759
4-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-2-yl]benzenecarboperoxoic acid
CID 166578902
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(2-methyl-[1]benzothiolo[6,5-b][1]benzofuran-8-yl)pyridine
CID 168829154
10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-h]quinoline
CID 172522712
4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine
CID 166503077
2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine
CID 162708104
2-dibenzofuran-4-yl-4-[dideuterio(phenyl)methyl]pyridine
CID 162707858
4-(2,2-dimethylpropyl)-2-(7-fluorodibenzofuran-4-yl)pyridine
CID 170777206

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine?
The IUPAC name of 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine (CID 162707718) is 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine.
What is the SMILES notation for 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine?
The canonical SMILES for 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine is [2H]C([2H])(c1ccnc(-c2cccc3c2oc2cc(-c4ccccc4)ccc23)c1)C(C)(C)C.
What is the InChIKey of 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine?
The InChIKey is ROPGYDTVJQQYEE-CPLZMPMBSA-N. The full InChI is InChI=1S/C28H25NO/c1-28(2,3)18-19-14-15-29-25(16-19)24-11-7-10-23-22-13-12-21(17-26(22)30-27(23)24)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-(7-phenyldibenzofuran-4-yl)pyridine?
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-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-(7-phenyldibenzofuran-4-yl)pyridine is sourced from PubChem (CID 162707718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).