trimethyl-[6-[5-(5-octyl-2-pyridinyl)-2-[4-(5-octyl-2-pyridinyl)-2-(6-trimethylsilylhexyl)phenoxy]phenyl]hexyl]silane

C56H88N2OSi2 — CID 67827662

IUPACtrimethyl-[6-[5-(5-octyl-2-pyridinyl)-2-[4-(5-octyl-2-pyridinyl)-2-(6-trimethylsilylhexyl)phenoxy]phenyl]hexyl]silane
SMILESCCCCCCCCc1ccc(-c2ccc(Oc3ccc(-c4ccc(CCCCCCCC)cn4)cc3CCCCCC[Si](C)(C)C)c(CCCCCC[Si](C)(C)C)c2)nc1
InChIInChI=1S/C56H88N2OSi2/c1-9-11-13-15-17-23-29-47-33-37-53(57-45-47)49-35-39-55(51(43-49)31-25-19-21-27-41-60(3,4)5)59-56-40-36-50(44-52(56)32-26-20-22-28-42-61(6,7)8)54-38-34-48(46-58-54)30-24-18-16-14-12-10-2/h33-40,43-46H,9-32,41-42H2,1-8H3
InChIKeyYIJWZHDJQNEWIZ-UHFFFAOYSA-N
MW861.50 g/mol
LogP18.29
Rot. Bonds32

About trimethyl-[6-[5-(5-octyl-2-pyridinyl)-2-[4-(5-octyl-2-pyridinyl)-2-(6-trimethylsilylhexyl)phenoxy]phenyl]hexyl]silane

trimethyl-[6-[5-(5-octyl-2-pyridinyl)-2-[4-(5-octyl-2-pyridinyl)-2-(6-trimethylsilylhexyl)phenoxy]phenyl]hexyl]silane (PubChem CID 67827662) has the molecular formula C56H88N2OSi2 and a molecular weight of 861.50 g/mol. Its IUPAC name is trimethyl-[6-[5-(5-octyl-2-pyridinyl)-2-[4-(5-octyl-2-pyridinyl)-2-(6-trimethylsilylhexyl)phenoxy]phenyl]hexyl]silane.

Molecular Properties

Compound Nametrimethyl-[6-[5-(5-octyl-2-pyridinyl)-2-[4-(5-octyl-2-pyridinyl)-2-(6-trimethylsilylhexyl)phenoxy]phenyl]hexyl]silane
PubChem CID67827662
Molecular FormulaC56H88N2OSi2
Molecular Weight861.50 g/mol
Exact Mass860.64
IUPAC Nametrimethyl-[6-[5-(5-octyl-2-pyridinyl)-2-[4-(5-octyl-2-pyridinyl)-2-(6-trimethylsilylhexyl)phenoxy]phenyl]hexyl]silane
SMILESCCCCCCCCc1ccc(-c2ccc(Oc3ccc(-c4ccc(CCCCCCCC)cn4)cc3CCCCCC[Si](C)(C)C)c(CCCCCC[Si](C)(C)C)c2)nc1
InChIInChI=1S/C56H88N2OSi2/c1-9-11-13-15-17-23-29-47-33-37-53(57-45-47)49-35-39-55(51(43-49)31-25-19-21-27-41-60(3,4)5)59-56-40-36-50(44-52(56)32-26-20-22-28-42-61(6,7)8)54-38-34-48(46-58-54)30-24-18-16-14-12-10-2/h33-40,43-46H,9-32,41-42H2,1-8H3
InChIKeyYIJWZHDJQNEWIZ-UHFFFAOYSA-N
XLogP18.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds32
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.50
LogP ≤ 518.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[6-[5-(2-octoxypyrimidin-5-yl)-2-[4-(2-octoxypyrimidin-5-yl)-2-(6-trimethylsilylhexyl)phenoxy]phenyl]hexyl]silane
CID 67827070
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-(4-dodecoxy-3-fluorophenyl)-5-pentylpyridine
CID 21286203
2-(3-fluoro-4-octadecoxyphenyl)-5-octylpyridine
CID 21286212
2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine
CID 19850593
butyl-[4-[2-[2-[4-[butyl(dimethyl)silyl]butyl]-4-(2-octylpyrimidin-5-yl)phenoxy]-5-(2-octylpyrimidin-5-yl)phenyl]butyl]-dimethylsilane
CID 67827040
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
2-(3-chloro-4-pentoxyphenyl)-5-pentylpyridine
CID 21286197
2-octyl-4-(5-pentyl-2-pyridinyl)benzoate
CID 19867210
4-(5-nonyl-2-pyridinyl)phenol
CID 135627063
2-(9-chlorononyl)-4-(5-hexyl-2-pyridinyl)benzoic acid
CID 70441711

Frequently Asked Questions

What is the IUPAC name of trimethyl-[6-[5-(5-octyl-2-pyridinyl)-2-[4-(5-octyl-2-pyridinyl)-2-(6-trimethylsilylhexyl)phenoxy]phenyl]hexyl]silane?
The IUPAC name of trimethyl-[6-[5-(5-octyl-2-pyridinyl)-2-[4-(5-octyl-2-pyridinyl)-2-(6-trimethylsilylhexyl)phenoxy]phenyl]hexyl]silane (CID 67827662) is trimethyl-[6-[5-(5-octyl-2-pyridinyl)-2-[4-(5-octyl-2-pyridinyl)-2-(6-trimethylsilylhexyl)phenoxy]phenyl]hexyl]silane.
What is the SMILES notation for trimethyl-[6-[5-(5-octyl-2-pyridinyl)-2-[4-(5-octyl-2-pyridinyl)-2-(6-trimethylsilylhexyl)phenoxy]phenyl]hexyl]silane?
The canonical SMILES for trimethyl-[6-[5-(5-octyl-2-pyridinyl)-2-[4-(5-octyl-2-pyridinyl)-2-(6-trimethylsilylhexyl)phenoxy]phenyl]hexyl]silane is CCCCCCCCc1ccc(-c2ccc(Oc3ccc(-c4ccc(CCCCCCCC)cn4)cc3CCCCCC[Si](C)(C)C)c(CCCCCC[Si](C)(C)C)c2)nc1.
What is the InChIKey of trimethyl-[6-[5-(5-octyl-2-pyridinyl)-2-[4-(5-octyl-2-pyridinyl)-2-(6-trimethylsilylhexyl)phenoxy]phenyl]hexyl]silane?
The InChIKey is YIJWZHDJQNEWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H88N2OSi2/c1-9-11-13-15-17-23-29-47-33-37-53(57-45-47)49-35-39-55(51(43-49)31-25-19-21-27-41-60(3,4)5)59-56-40-36-50(44-52(56)32-26-20-22-28-42-61(6,7)8)54-38-34-48(46-58-54)30-24-18-16-14-12-10-2/h33-40,43-46H,9-32,41-42H2,1-8H3.
What are the key properties of trimethyl-[6-[5-(5-octyl-2-pyridinyl)-2-[4-(5-octyl-2-pyridinyl)-2-(6-trimethylsilylhexyl)phenoxy]phenyl]hexyl]silane?
trimethyl-[6-[5-(5-octyl-2-pyridinyl)-2-[4-(5-octyl-2-pyridinyl)-2-(6-trimethylsilylhexyl)phenoxy]phenyl]hexyl]silane has a molecular weight of 861.50 g/mol, XLogP of 18.29, 32 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[6-[5-(5-octyl-2-pyridinyl)-2-[4-(5-octyl-2-pyridinyl)-2-(6-trimethylsilylhexyl)phenoxy]phenyl]hexyl]silane is sourced from PubChem (CID 67827662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).