5-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)pyridine

C20H21NO — CID 170518865

IUPAC5-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)pyridine
SMILESCC(C)c1ccc(-c2cccc3c4c(oc23)CCCC4)nc1
InChIInChI=1S/C20H21NO/c1-13(2)14-10-11-18(21-12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17/h5,7-8,10-13H,3-4,6,9H2,1-2H3
InChIKeyXTKVDMQARZBDNS-UHFFFAOYSA-N
MW291.39 g/mol
LogP5.50
Rot. Bonds2

About 5-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)pyridine

5-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)pyridine (PubChem CID 170518865) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)pyridine.

Molecular Properties

Compound Name5-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)pyridine
PubChem CID170518865
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name5-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)pyridine
SMILESCC(C)c1ccc(-c2cccc3c4c(oc23)CCCC4)nc1
InChIInChI=1S/C20H21NO/c1-13(2)14-10-11-18(21-12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17/h5,7-8,10-13H,3-4,6,9H2,1-2H3
InChIKeyXTKVDMQARZBDNS-UHFFFAOYSA-N
XLogP5.50
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.39
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzofuran-4-yl-5-propan-2-ylpyridine
CID 71236317
4-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)pyridine
CID 170518785
2-(8-methyldibenzofuran-4-yl)-5-propan-2-ylpyridine
CID 176637472
trimethyl-[6-(5-propan-2-yl-2-pyridinyl)dibenzofuran-2-yl]silane
CID 155608254
trimethyl-[4-(5-propan-2-yl-2-pyridinyl)dibenzofuran-1-yl]silane
CID 155608517
6,7,8,9-tetrahydrodibenzofuran-4-ol
CID 3045305
2-naphthalen-1-yl-5-propan-2-ylpyrimidine
CID 176640404
4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
bis(4-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]pyridine);6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine;6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 167695001
8-(5-ethyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 140791475
2-tert-butyl-4-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 159546615
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)pyridine?
The IUPAC name of 5-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)pyridine (CID 170518865) is 5-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)pyridine.
What is the SMILES notation for 5-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)pyridine?
The canonical SMILES for 5-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)pyridine is CC(C)c1ccc(-c2cccc3c4c(oc23)CCCC4)nc1.
What is the InChIKey of 5-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)pyridine?
The InChIKey is XTKVDMQARZBDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-13(2)14-10-11-18(21-12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17/h5,7-8,10-13H,3-4,6,9H2,1-2H3.
What are the key properties of 5-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)pyridine?
5-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)pyridine has a molecular weight of 291.39 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)pyridine is sourced from PubChem (CID 170518865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).