4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine

C25H27NO — CID 167425322

IUPAC4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
SMILESCC(C)(C)c1ccnc(-c2cccc3c2oc2ccc(C(C)(C)C)cc23)c1
InChIInChI=1S/C25H27NO/c1-24(2,3)16-10-11-22-20(14-16)18-8-7-9-19(23(18)27-22)21-15-17(12-13-26-21)25(4,5)6/h7-15H,1-6H3
InChIKeyJIKNZEDHBCCQRF-UHFFFAOYSA-N
MW357.50 g/mol
LogP7.24
Rot. Bonds1

About 4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine

4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine (PubChem CID 167425322) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is 4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
PubChem CID167425322
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
SMILESCC(C)(C)c1ccnc(-c2cccc3c2oc2ccc(C(C)(C)C)cc23)c1
InChIInChI=1S/C25H27NO/c1-24(2,3)16-10-11-22-20(14-16)18-8-7-9-19(23(18)27-22)21-15-17(12-13-26-21)25(4,5)6/h7-15H,1-6H3
InChIKeyJIKNZEDHBCCQRF-UHFFFAOYSA-N
XLogP7.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine
CID 155610480
4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
CID 162709213
4-(4-tert-butylphenyl)-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)pyridine
CID 166043906
2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine
CID 165169386
4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine
CID 166575883
8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine
CID 155611309
9-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-3-yl]-1,8-dimethylcarbazole
CID 169301818
2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine
CID 164796614
4-[4-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]benzonitrile
CID 170546327
4-tert-butyl-2-[14-(2,4,6-trimethylphenyl)-10,21-dioxa-14-borapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]pyridine
CID 169301862
4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine
CID 155386640

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine?
The IUPAC name of 4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine (CID 167425322) is 4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine.
What is the SMILES notation for 4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine?
The canonical SMILES for 4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine is CC(C)(C)c1ccnc(-c2cccc3c2oc2ccc(C(C)(C)C)cc23)c1.
What is the InChIKey of 4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine?
The InChIKey is JIKNZEDHBCCQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO/c1-24(2,3)16-10-11-22-20(14-16)18-8-7-9-19(23(18)27-22)21-15-17(12-13-26-21)25(4,5)6/h7-15H,1-6H3.
What are the key properties of 4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine?
4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine has a molecular weight of 357.50 g/mol, XLogP of 7.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine is sourced from PubChem (CID 167425322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).