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

C28H25NO — CID 166578236

IUPAC4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine
SMILESCC(C)(C)Cc1ccnc(-c2ccc3oc4cc(-c5ccccc5)ccc4c3c2)c1
InChIInChI=1S/C28H25NO/c1-28(2,3)18-19-13-14-29-25(15-19)22-10-12-26-24(16-22)23-11-9-21(17-27(23)30-26)20-7-5-4-6-8-20/h4-17H,18H2,1-3H3
InChIKeyALFAIINGAAYUNW-UHFFFAOYSA-N
MW391.51 g/mol
LogP7.90
Rot. Bonds3

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

4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine (PubChem CID 166578236) has the molecular formula C28H25NO and a molecular weight of 391.51 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine
PubChem CID166578236
Molecular FormulaC28H25NO
Molecular Weight391.51 g/mol
Exact Mass391.19
IUPAC Name4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine
SMILESCC(C)(C)Cc1ccnc(-c2ccc3oc4cc(-c5ccccc5)ccc4c3c2)c1
InChIInChI=1S/C28H25NO/c1-28(2,3)18-19-13-14-29-25(15-19)22-10-12-26-24(16-22)23-11-9-21(17-27(23)30-26)20-7-5-4-6-8-20/h4-17H,18H2,1-3H3
InChIKeyALFAIINGAAYUNW-UHFFFAOYSA-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 ≤ 500391.51
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155610550
4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155611009
3-[3-(2,2-dimethylpropyl)phenyl]dibenzofuran
CID 156573505
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9-phenyldibenzofuran-3-yl)pyridine
CID 166573930
4-(2,2-dimethylpropyl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574783
4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine
CID 162707121
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 162707718
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-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine
CID 169038662
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine
CID 162707526
2-(8-phenyldibenzofuran-2-yl)pyridine-4-carbonitrile
CID 118397985
4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(6-phenyldibenzofuran-2-yl)pyridine
CID 169038906

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine?
The IUPAC name of 4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine (CID 166578236) is 4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine is CC(C)(C)Cc1ccnc(-c2ccc3oc4cc(-c5ccccc5)ccc4c3c2)c1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine?
The InChIKey is ALFAIINGAAYUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO/c1-28(2,3)18-19-13-14-29-25(15-19)22-10-12-26-24(16-22)23-11-9-21(17-27(23)30-26)20-7-5-4-6-8-20/h4-17H,18H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine?
4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine has a molecular weight of 391.51 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-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine is sourced from PubChem (CID 166578236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).