2-(8-methyldibenzofuran-4-yl)-5-propan-2-ylpyridine

C21H19NO — CID 176637472

IUPAC2-(8-methyldibenzofuran-4-yl)-5-propan-2-ylpyridine
SMILESCc1ccc2oc3c(-c4ccc(C(C)C)cn4)cccc3c2c1
InChIInChI=1S/C21H19NO/c1-13(2)15-8-9-19(22-12-15)17-6-4-5-16-18-11-14(3)7-10-20(18)23-21(16)17/h4-13H,1-3H3
InChIKeyHSQMCNAKKZJHBM-UHFFFAOYSA-N
MW301.39 g/mol
LogP6.08
Rot. Bonds2

About 2-(8-methyldibenzofuran-4-yl)-5-propan-2-ylpyridine

2-(8-methyldibenzofuran-4-yl)-5-propan-2-ylpyridine (PubChem CID 176637472) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(8-methyldibenzofuran-4-yl)-5-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(8-methyldibenzofuran-4-yl)-5-propan-2-ylpyridine
PubChem CID176637472
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name2-(8-methyldibenzofuran-4-yl)-5-propan-2-ylpyridine
SMILESCc1ccc2oc3c(-c4ccc(C(C)C)cn4)cccc3c2c1
InChIInChI=1S/C21H19NO/c1-13(2)15-8-9-19(22-12-15)17-6-4-5-16-18-11-14(3)7-10-20(18)23-21(16)17/h4-13H,1-3H3
InChIKeyHSQMCNAKKZJHBM-UHFFFAOYSA-N
XLogP6.08
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trimethyl-[6-(5-propan-2-yl-2-pyridinyl)dibenzofuran-2-yl]silane
CID 155608254
2-dibenzofuran-4-yl-5-propan-2-ylpyridine
CID 71236317
2-methyl-6-(4-methylphenyl)dibenzofuran
CID 134235595
5-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)pyridine
CID 170518865
2-(2,8-dimethyldibenzofuran-4-yl)-4-propan-2-ylpyridine
CID 156686701
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
trimethyl-[4-(5-propan-2-yl-2-pyridinyl)dibenzofuran-1-yl]silane
CID 155608517
4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)-5-methylpyridine
CID 168829951
5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166573825
3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine
CID 155610525
2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine
CID 176779607

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyldibenzofuran-4-yl)-5-propan-2-ylpyridine?
The IUPAC name of 2-(8-methyldibenzofuran-4-yl)-5-propan-2-ylpyridine (CID 176637472) is 2-(8-methyldibenzofuran-4-yl)-5-propan-2-ylpyridine.
What is the SMILES notation for 2-(8-methyldibenzofuran-4-yl)-5-propan-2-ylpyridine?
The canonical SMILES for 2-(8-methyldibenzofuran-4-yl)-5-propan-2-ylpyridine is Cc1ccc2oc3c(-c4ccc(C(C)C)cn4)cccc3c2c1.
What is the InChIKey of 2-(8-methyldibenzofuran-4-yl)-5-propan-2-ylpyridine?
The InChIKey is HSQMCNAKKZJHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-13(2)15-8-9-19(22-12-15)17-6-4-5-16-18-11-14(3)7-10-20(18)23-21(16)17/h4-13H,1-3H3.
What are the key properties of 2-(8-methyldibenzofuran-4-yl)-5-propan-2-ylpyridine?
2-(8-methyldibenzofuran-4-yl)-5-propan-2-ylpyridine has a molecular weight of 301.39 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyldibenzofuran-4-yl)-5-propan-2-ylpyridine is sourced from PubChem (CID 176637472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).