4-[4-[6-[[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]hexyl]phenyl]benzonitrile

C108H137N5O8Si7 — CID 101053859

IUPAC4-[4-[6-[[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]hexyl]phenyl]benzonitrile
SMILESC[Si](C)(CCO)O[Si](C)(CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1)O[Si](C)(CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1)O[Si](C)(CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1)O[Si](C)(CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1)O[Si](C)(CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1)O[Si](C)(C)CCO
InChIInChI=1S/C108H137N5O8Si7/c1-122(2,82-75-114)116-124(5,77-25-15-10-20-30-89-35-55-99(56-36-89)104-65-45-94(84-109)46-66-104)118-126(7,79-27-17-12-22-32-91-39-59-101(60-40-91)106-69-49-96(86-111)50-70-106)120-128(9,81-29-19-14-24-34-93-43-63-103(64-44-93)108-73-53-98(88-113)54-74-108)121-127(8,80-28-18-13-23-33-92-41-61-102(62-42-92)107-71-51-97(87-112)52-72-107)119-125(6,117-123(3,4)83-76-115)78-26-16-11-21-31-90-37-57-100(58-38-90)105-67-47-95(85-110)48-68-105/h35-74,114-115H,10-34,75-83H2,1-9H3
InChIKeyFOSZHXDXJKBSLC-UHFFFAOYSA-N
MW1829.91 g/mol
LogP28.55
Rot. Bonds56

About 4-[4-[6-[[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]hexyl]phenyl]benzonitrile

4-[4-[6-[[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]hexyl]phenyl]benzonitrile (PubChem CID 101053859) has the molecular formula C108H137N5O8Si7 and a molecular weight of 1829.91 g/mol. Its IUPAC name is 4-[4-[6-[[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]hexyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[6-[[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]hexyl]phenyl]benzonitrile
PubChem CID101053859
Molecular FormulaC108H137N5O8Si7
Molecular Weight1829.91 g/mol
Exact Mass1827.89
IUPAC Name4-[4-[6-[[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]hexyl]phenyl]benzonitrile
SMILESC[Si](C)(CCO)O[Si](C)(CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1)O[Si](C)(CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1)O[Si](C)(CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1)O[Si](C)(CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1)O[Si](C)(CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1)O[Si](C)(C)CCO
InChIInChI=1S/C108H137N5O8Si7/c1-122(2,82-75-114)116-124(5,77-25-15-10-20-30-89-35-55-99(56-36-89)104-65-45-94(84-109)46-66-104)118-126(7,79-27-17-12-22-32-91-39-59-101(60-40-91)106-69-49-96(86-111)50-70-106)120-128(9,81-29-19-14-24-34-93-43-63-103(64-44-93)108-73-53-98(88-113)54-74-108)121-127(8,80-28-18-13-23-33-92-41-61-102(62-42-92)107-71-51-97(87-112)52-72-107)119-125(6,117-123(3,4)83-76-115)78-26-16-11-21-31-90-37-57-100(58-38-90)105-67-47-95(85-110)48-68-105/h35-74,114-115H,10-34,75-83H2,1-9H3
InChIKeyFOSZHXDXJKBSLC-UHFFFAOYSA-N
XLogP28.55
TPSA214.79 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds56
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001829.91
LogP ≤ 528.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 4-[4-[6-[[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]hexyl]phenyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-[[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]hexyl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[6-[[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]hexyl]phenyl]benzonitrile (CID 101053859) is 4-[4-[6-[[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]hexyl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[6-[[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]hexyl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[6-[[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]hexyl]phenyl]benzonitrile is C[Si](C)(CCO)O[Si](C)(CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1)O[Si](C)(CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1)O[Si](C)(CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1)O[Si](C)(CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1)O[Si](C)(CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1)O[Si](C)(C)CCO.
What is the InChIKey of 4-[4-[6-[[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]hexyl]phenyl]benzonitrile?
The InChIKey is FOSZHXDXJKBSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H137N5O8Si7/c1-122(2,82-75-114)116-124(5,77-25-15-10-20-30-89-35-55-99(56-36-89)104-65-45-94(84-109)46-66-104)118-126(7,79-27-17-12-22-32-91-39-59-101(60-40-91)106-69-49-96(86-111)50-70-106)120-128(9,81-29-19-14-24-34-93-43-63-103(64-44-93)108-73-53-98(88-113)54-74-108)121-127(8,80-28-18-13-23-33-92-41-61-102(62-42-92)107-71-51-97(87-112)52-72-107)119-125(6,117-123(3,4)83-76-115)78-26-16-11-21-31-90-37-57-100(58-38-90)105-67-47-95(85-110)48-68-105/h35-74,114-115H,10-34,75-83H2,1-9H3.
What are the key properties of 4-[4-[6-[[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]hexyl]phenyl]benzonitrile?
4-[4-[6-[[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]hexyl]phenyl]benzonitrile has a molecular weight of 1829.91 g/mol, XLogP of 28.55, 56 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-[[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]hexyl]phenyl]benzonitrile is sourced from PubChem (CID 101053859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).