2-(2,8-dimethyldibenzofuran-4-yl)-4-propan-2-ylpyridine

C22H21NO — CID 156686701

IUPAC2-(2,8-dimethyldibenzofuran-4-yl)-4-propan-2-ylpyridine
SMILESCc1ccc2oc3c(-c4cc(C(C)C)ccn4)cc(C)cc3c2c1
InChIInChI=1S/C22H21NO/c1-13(2)16-7-8-23-20(12-16)19-11-15(4)10-18-17-9-14(3)5-6-21(17)24-22(18)19/h5-13H,1-4H3
InChIKeyFDGJLARZFDYBNX-UHFFFAOYSA-N
MW315.42 g/mol
LogP6.39
Rot. Bonds2

About 2-(2,8-dimethyldibenzofuran-4-yl)-4-propan-2-ylpyridine

2-(2,8-dimethyldibenzofuran-4-yl)-4-propan-2-ylpyridine (PubChem CID 156686701) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(2,8-dimethyldibenzofuran-4-yl)-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(2,8-dimethyldibenzofuran-4-yl)-4-propan-2-ylpyridine
PubChem CID156686701
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name2-(2,8-dimethyldibenzofuran-4-yl)-4-propan-2-ylpyridine
SMILESCc1ccc2oc3c(-c4cc(C(C)C)ccn4)cc(C)cc3c2c1
InChIInChI=1S/C22H21NO/c1-13(2)16-7-8-23-20(12-16)19-11-15(4)10-18-17-9-14(3)5-6-21(17)24-22(18)19/h5-13H,1-4H3
InChIKeyFDGJLARZFDYBNX-UHFFFAOYSA-N
XLogP6.39
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine
CID 163739130
2-(8-methyldibenzofuran-4-yl)-5-propan-2-ylpyridine
CID 176637472
4-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 90140758
4-(2-deuteriopropan-2-yl)-2-(8-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine
CID 165170605
4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine
CID 155610525
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889
4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine
CID 166573663
2-(2-propan-2-yldibenzofuran-4-yl)pyridine
CID 156686806
4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine
CID 166575689
4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine
CID 166574655

Frequently Asked Questions

What is the IUPAC name of 2-(2,8-dimethyldibenzofuran-4-yl)-4-propan-2-ylpyridine?
The IUPAC name of 2-(2,8-dimethyldibenzofuran-4-yl)-4-propan-2-ylpyridine (CID 156686701) is 2-(2,8-dimethyldibenzofuran-4-yl)-4-propan-2-ylpyridine.
What is the SMILES notation for 2-(2,8-dimethyldibenzofuran-4-yl)-4-propan-2-ylpyridine?
The canonical SMILES for 2-(2,8-dimethyldibenzofuran-4-yl)-4-propan-2-ylpyridine is Cc1ccc2oc3c(-c4cc(C(C)C)ccn4)cc(C)cc3c2c1.
What is the InChIKey of 2-(2,8-dimethyldibenzofuran-4-yl)-4-propan-2-ylpyridine?
The InChIKey is FDGJLARZFDYBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-13(2)16-7-8-23-20(12-16)19-11-15(4)10-18-17-9-14(3)5-6-21(17)24-22(18)19/h5-13H,1-4H3.
What are the key properties of 2-(2,8-dimethyldibenzofuran-4-yl)-4-propan-2-ylpyridine?
2-(2,8-dimethyldibenzofuran-4-yl)-4-propan-2-ylpyridine has a molecular weight of 315.42 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-dimethyldibenzofuran-4-yl)-4-propan-2-ylpyridine is sourced from PubChem (CID 156686701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).