4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine

C35H39NO — CID 166575883

IUPAC4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine
SMILESCC(C)(C)c1cc(-c2cccc3c2oc2cc(-c4cc(C(C)(C)C)ccn4)ccc23)cc(C(C)(C)C)c1
InChIInChI=1S/C35H39NO/c1-33(2,3)24-15-16-36-30(21-24)22-13-14-28-29-12-10-11-27(32(29)37-31(28)19-22)23-17-25(34(4,5)6)20-26(18-23)35(7,8)9/h10-21H,1-9H3
InChIKeyPRLFQDPMNVRWHS-UHFFFAOYSA-N
MW489.70 g/mol
LogP10.21
Rot. Bonds2

About 4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine

4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine (PubChem CID 166575883) has the molecular formula C35H39NO and a molecular weight of 489.70 g/mol. Its IUPAC name is 4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine
PubChem CID166575883
Molecular FormulaC35H39NO
Molecular Weight489.70 g/mol
Exact Mass489.30
IUPAC Name4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine
SMILESCC(C)(C)c1cc(-c2cccc3c2oc2cc(-c4cc(C(C)(C)C)ccn4)ccc23)cc(C(C)(C)C)c1
InChIInChI=1S/C35H39NO/c1-33(2,3)24-15-16-36-30(21-24)22-13-14-28-29-12-10-11-27(32(29)37-31(28)19-22)23-17-25(34(4,5)6)20-26(18-23)35(7,8)9/h10-21H,1-9H3
InChIKeyPRLFQDPMNVRWHS-UHFFFAOYSA-N
XLogP10.21
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.70
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
CID 167425322
4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
CID 162709213
4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
CID 170133663
6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine
CID 155610480
4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155610550
19-(4-tert-butyl-2-pyridinyl)-26-methyl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene
CID 168766413
9-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-3-yl]-1,8-dimethylcarbazole
CID 169301818
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
4-[4-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]benzonitrile
CID 170546327
2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine
CID 162708104
2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine
CID 165169386

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine?
The IUPAC name of 4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine (CID 166575883) is 4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine.
What is the SMILES notation for 4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine?
The canonical SMILES for 4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine is CC(C)(C)c1cc(-c2cccc3c2oc2cc(-c4cc(C(C)(C)C)ccn4)ccc23)cc(C(C)(C)C)c1.
What is the InChIKey of 4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine?
The InChIKey is PRLFQDPMNVRWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39NO/c1-33(2,3)24-15-16-36-30(21-24)22-13-14-28-29-12-10-11-27(32(29)37-31(28)19-22)23-17-25(34(4,5)6)20-26(18-23)35(7,8)9/h10-21H,1-9H3.
What are the key properties of 4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine?
4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine has a molecular weight of 489.70 g/mol, XLogP of 10.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine is sourced from PubChem (CID 166575883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).