4-[2-[4-[2-[2,6-bis(4-tert-butyl-2-pyridinyl)-4-pyridinyl]ethyl]phenyl]ethyl]-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine

C56H64N6 — CID 101142232

IUPAC4-[2-[4-[2-[2,6-bis(4-tert-butyl-2-pyridinyl)-4-pyridinyl]ethyl]phenyl]ethyl]-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine
SMILESCC(C)(C)c1ccnc(-c2cc(CCc3ccc(CCc4cc(-c5cc(C(C)(C)C)ccn5)nc(-c5cc(C(C)(C)C)ccn5)c4)cc3)cc(-c3cc(C(C)(C)C)ccn3)n2)c1
InChIInChI=1S/C56H64N6/c1-53(2,3)41-21-25-57-45(33-41)49-29-39(30-50(61-49)46-34-42(22-26-58-46)54(4,5)6)19-17-37-13-15-38(16-14-37)18-20-40-31-51(47-35-43(23-27-59-47)55(7,8)9)62-52(32-40)48-36-44(24-28-60-48)56(10,11)12/h13-16,21-36H,17-20H2,1-12H3
InChIKeyBEQCIEUAYBXIFW-UHFFFAOYSA-N
MW821.17 g/mol
LogP13.48
Rot. Bonds10

About 4-[2-[4-[2-[2,6-bis(4-tert-butyl-2-pyridinyl)-4-pyridinyl]ethyl]phenyl]ethyl]-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine

4-[2-[4-[2-[2,6-bis(4-tert-butyl-2-pyridinyl)-4-pyridinyl]ethyl]phenyl]ethyl]-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine (PubChem CID 101142232) has the molecular formula C56H64N6 and a molecular weight of 821.17 g/mol. Its IUPAC name is 4-[2-[4-[2-[2,6-bis(4-tert-butyl-2-pyridinyl)-4-pyridinyl]ethyl]phenyl]ethyl]-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name4-[2-[4-[2-[2,6-bis(4-tert-butyl-2-pyridinyl)-4-pyridinyl]ethyl]phenyl]ethyl]-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine
PubChem CID101142232
Molecular FormulaC56H64N6
Molecular Weight821.17 g/mol
Exact Mass820.52
IUPAC Name4-[2-[4-[2-[2,6-bis(4-tert-butyl-2-pyridinyl)-4-pyridinyl]ethyl]phenyl]ethyl]-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine
SMILESCC(C)(C)c1ccnc(-c2cc(CCc3ccc(CCc4cc(-c5cc(C(C)(C)C)ccn5)nc(-c5cc(C(C)(C)C)ccn5)c4)cc3)cc(-c3cc(C(C)(C)C)ccn3)n2)c1
InChIInChI=1S/C56H64N6/c1-53(2,3)41-21-25-57-45(33-41)49-29-39(30-50(61-49)46-34-42(22-26-58-46)54(4,5)6)19-17-37-13-15-38(16-14-37)18-20-40-31-51(47-35-43(23-27-59-47)55(7,8)9)62-52(32-40)48-36-44(24-28-60-48)56(10,11)12/h13-16,21-36H,17-20H2,1-12H3
InChIKeyBEQCIEUAYBXIFW-UHFFFAOYSA-N
XLogP13.48
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.17
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[4-[2-[2,6-bis(4-tert-butyl-2-pyridinyl)-4-pyridinyl]ethyl]phenyl]ethyl]-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;carbanide;platinum(2+)
CID 10962043
4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)pyridine-2-carbaldehyde
CID 152511124
2-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]acetaldehyde
CID 135247028
2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 15827510
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;chlororhenium;methanone
CID 164886835
ditert-butyl-[[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]methyl]phosphane
CID 154703036
4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine;gold(1+);trifluoromethanesulfonate
CID 11858840
octakis(acetonitrile);hexakis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);molybdenum;(oxygen(2-))
CID 139082640
1-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]ethanone
CID 135252421
bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);bis(dioxido(dioxo)chromium);bis(oxygen(2-));bis(vanadium)
CID 53380188
2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine
CID 156780767
bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);methanol;bis(oxygen(2-));bis(vanadium(4+));disulfate
CID 139041352

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-[2,6-bis(4-tert-butyl-2-pyridinyl)-4-pyridinyl]ethyl]phenyl]ethyl]-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine?
The IUPAC name of 4-[2-[4-[2-[2,6-bis(4-tert-butyl-2-pyridinyl)-4-pyridinyl]ethyl]phenyl]ethyl]-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine (CID 101142232) is 4-[2-[4-[2-[2,6-bis(4-tert-butyl-2-pyridinyl)-4-pyridinyl]ethyl]phenyl]ethyl]-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine.
What is the SMILES notation for 4-[2-[4-[2-[2,6-bis(4-tert-butyl-2-pyridinyl)-4-pyridinyl]ethyl]phenyl]ethyl]-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine?
The canonical SMILES for 4-[2-[4-[2-[2,6-bis(4-tert-butyl-2-pyridinyl)-4-pyridinyl]ethyl]phenyl]ethyl]-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine is CC(C)(C)c1ccnc(-c2cc(CCc3ccc(CCc4cc(-c5cc(C(C)(C)C)ccn5)nc(-c5cc(C(C)(C)C)ccn5)c4)cc3)cc(-c3cc(C(C)(C)C)ccn3)n2)c1.
What is the InChIKey of 4-[2-[4-[2-[2,6-bis(4-tert-butyl-2-pyridinyl)-4-pyridinyl]ethyl]phenyl]ethyl]-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine?
The InChIKey is BEQCIEUAYBXIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H64N6/c1-53(2,3)41-21-25-57-45(33-41)49-29-39(30-50(61-49)46-34-42(22-26-58-46)54(4,5)6)19-17-37-13-15-38(16-14-37)18-20-40-31-51(47-35-43(23-27-59-47)55(7,8)9)62-52(32-40)48-36-44(24-28-60-48)56(10,11)12/h13-16,21-36H,17-20H2,1-12H3.
What are the key properties of 4-[2-[4-[2-[2,6-bis(4-tert-butyl-2-pyridinyl)-4-pyridinyl]ethyl]phenyl]ethyl]-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine?
4-[2-[4-[2-[2,6-bis(4-tert-butyl-2-pyridinyl)-4-pyridinyl]ethyl]phenyl]ethyl]-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine has a molecular weight of 821.17 g/mol, XLogP of 13.48, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-[2,6-bis(4-tert-butyl-2-pyridinyl)-4-pyridinyl]ethyl]phenyl]ethyl]-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine is sourced from PubChem (CID 101142232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).