4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine

C25H19NO — CID 162707040

IUPAC4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine
SMILESCc1cnc(-c2cccc3c2oc2ccccc23)cc1Cc1ccccc1
InChIInChI=1S/C25H19NO/c1-17-16-26-23(15-19(17)14-18-8-3-2-4-9-18)22-12-7-11-21-20-10-5-6-13-24(20)27-25(21)22/h2-13,15-16H,14H2,1H3
InChIKeySZERDHGOLUQEBR-UHFFFAOYSA-N
MW349.43 g/mol
LogP6.55
Rot. Bonds3

About 4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine

4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine (PubChem CID 162707040) has the molecular formula C25H19NO and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine.

Molecular Properties

Compound Name4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine
PubChem CID162707040
Molecular FormulaC25H19NO
Molecular Weight349.43 g/mol
Exact Mass349.15
IUPAC Name4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine
SMILESCc1cnc(-c2cccc3c2oc2ccccc23)cc1Cc1ccccc1
InChIInChI=1S/C25H19NO/c1-17-16-26-23(15-19(17)14-18-8-3-2-4-9-18)22-12-7-11-21-20-10-5-6-13-24(20)27-25(21)22/h2-13,15-16H,14H2,1H3
InChIKeySZERDHGOLUQEBR-UHFFFAOYSA-N
XLogP6.55
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine
CID 162707916
4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene
CID 162500362
2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine
CID 176779607
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-(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-(1,1-dideuterio-2,2-dimethylpropyl)-2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-5-(trideuteriomethyl)pyridine
CID 162710412
4-benzyl-2-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
CID 162708647
2-dibenzofuran-4-yl-4-[dideuterio(phenyl)methyl]pyridine
CID 162707858
2-dibenzofuran-4-yl-5-fluoro-4-octylpyridine
CID 171576815
5,15-di(dibenzofuran-4-yl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
CID 164528112
4-benzyl-5-methyl-2-phenylpyridine
CID 162707148
3,4-dideuterio-2-dibenzofuran-4-yl-5-methylpyridine
CID 154588250

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine?
The IUPAC name of 4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine (CID 162707040) is 4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine.
What is the SMILES notation for 4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine?
The canonical SMILES for 4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine is Cc1cnc(-c2cccc3c2oc2ccccc23)cc1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine?
The InChIKey is SZERDHGOLUQEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO/c1-17-16-26-23(15-19(17)14-18-8-3-2-4-9-18)22-12-7-11-21-20-10-5-6-13-24(20)27-25(21)22/h2-13,15-16H,14H2,1H3.
What are the key properties of 4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine?
4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine has a molecular weight of 349.43 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine is sourced from PubChem (CID 162707040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).