[4-[3,5-bis[4-[[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazenyl]phenoxy]phenoxy]phenyl]-[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazene

C96H111N9O9 — CID 101371640

IUPAC[4-[3,5-bis[4-[[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazenyl]phenoxy]phenoxy]phenyl]-[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazene
SMILESCC(ON1C(C)(C)CCCC1(C)C)c1ccc(COc2ccc(/N=N/c3ccc(Oc4cc(Oc5ccc(/N=N/c6ccc(OCc7ccc(C(C)ON8C(C)(C)CCCC8(C)C)cc7)cc6)cc5)cc(Oc5ccc(/N=N/c6ccc(OCc7ccc(C(C)ON8C(C)(C)CCCC8(C)C)cc7)cc6)cc5)c4)cc3)cc2)cc1
InChIInChI=1S/C96H111N9O9/c1-67(112-103-91(4,5)55-16-56-92(103,6)7)73-25-19-70(20-26-73)64-106-82-43-31-76(32-44-82)97-100-79-37-49-85(50-38-79)109-88-61-89(110-86-51-39-80(40-52-86)101-98-77-33-45-83(46-34-77)107-65-71-21-27-74(28-22-71)68(2)113-104-93(8,9)57-17-58-94(104,10)11)63-90(62-88)111-87-53-41-81(42-54-87)102-99-78-35-47-84(48-36-78)108-66-72-23-29-75(30-24-72)69(3)114-105-95(12,13)59-18-60-96(105,14)15/h19-54,61-63,67-69H,16-18,55-60,64-66H2,1-15H3/b100-97+,101-98+,102-99+
InChIKeyQYOIEKONZGFEOT-LSWPNJNKSA-N
MW1535.00 g/mol
LogP28.15
Rot. Bonds30

About [4-[3,5-bis[4-[[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazenyl]phenoxy]phenoxy]phenyl]-[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazene

[4-[3,5-bis[4-[[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazenyl]phenoxy]phenoxy]phenyl]-[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazene (PubChem CID 101371640) has the molecular formula C96H111N9O9 and a molecular weight of 1535.00 g/mol. Its IUPAC name is [4-[3,5-bis[4-[[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazenyl]phenoxy]phenoxy]phenyl]-[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazene.

Molecular Properties

Compound Name[4-[3,5-bis[4-[[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazenyl]phenoxy]phenoxy]phenyl]-[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazene
PubChem CID101371640
Molecular FormulaC96H111N9O9
Molecular Weight1535.00 g/mol
Exact Mass1533.85
IUPAC Name[4-[3,5-bis[4-[[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazenyl]phenoxy]phenoxy]phenyl]-[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazene
SMILESCC(ON1C(C)(C)CCCC1(C)C)c1ccc(COc2ccc(/N=N/c3ccc(Oc4cc(Oc5ccc(/N=N/c6ccc(OCc7ccc(C(C)ON8C(C)(C)CCCC8(C)C)cc7)cc6)cc5)cc(Oc5ccc(/N=N/c6ccc(OCc7ccc(C(C)ON8C(C)(C)CCCC8(C)C)cc7)cc6)cc5)c4)cc3)cc2)cc1
InChIInChI=1S/C96H111N9O9/c1-67(112-103-91(4,5)55-16-56-92(103,6)7)73-25-19-70(20-26-73)64-106-82-43-31-76(32-44-82)97-100-79-37-49-85(50-38-79)109-88-61-89(110-86-51-39-80(40-52-86)101-98-77-33-45-83(46-34-77)107-65-71-21-27-74(28-22-71)68(2)113-104-93(8,9)57-17-58-94(104,10)11)63-90(62-88)111-87-53-41-81(42-54-87)102-99-78-35-47-84(48-36-78)108-66-72-23-29-75(30-24-72)69(3)114-105-95(12,13)59-18-60-96(105,14)15/h19-54,61-63,67-69H,16-18,55-60,64-66H2,1-15H3/b100-97+,101-98+,102-99+
InChIKeyQYOIEKONZGFEOT-LSWPNJNKSA-N
XLogP28.15
TPSA166.95 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds30
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001535.00
LogP ≤ 528.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze [4-[3,5-bis[4-[[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazenyl]phenoxy]phenoxy]phenyl]-[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazene with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[3,5-bis[4-[[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazenyl]phenoxy]phenoxy]phenyl]-[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazene?
The IUPAC name of [4-[3,5-bis[4-[[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazenyl]phenoxy]phenoxy]phenyl]-[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazene (CID 101371640) is [4-[3,5-bis[4-[[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazenyl]phenoxy]phenoxy]phenyl]-[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazene.
What is the SMILES notation for [4-[3,5-bis[4-[[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazenyl]phenoxy]phenoxy]phenyl]-[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazene?
The canonical SMILES for [4-[3,5-bis[4-[[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazenyl]phenoxy]phenoxy]phenyl]-[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazene is CC(ON1C(C)(C)CCCC1(C)C)c1ccc(COc2ccc(/N=N/c3ccc(Oc4cc(Oc5ccc(/N=N/c6ccc(OCc7ccc(C(C)ON8C(C)(C)CCCC8(C)C)cc7)cc6)cc5)cc(Oc5ccc(/N=N/c6ccc(OCc7ccc(C(C)ON8C(C)(C)CCCC8(C)C)cc7)cc6)cc5)c4)cc3)cc2)cc1.
What is the InChIKey of [4-[3,5-bis[4-[[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazenyl]phenoxy]phenoxy]phenyl]-[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazene?
The InChIKey is QYOIEKONZGFEOT-LSWPNJNKSA-N. The full InChI is InChI=1S/C96H111N9O9/c1-67(112-103-91(4,5)55-16-56-92(103,6)7)73-25-19-70(20-26-73)64-106-82-43-31-76(32-44-82)97-100-79-37-49-85(50-38-79)109-88-61-89(110-86-51-39-80(40-52-86)101-98-77-33-45-83(46-34-77)107-65-71-21-27-74(28-22-71)68(2)113-104-93(8,9)57-17-58-94(104,10)11)63-90(62-88)111-87-53-41-81(42-54-87)102-99-78-35-47-84(48-36-78)108-66-72-23-29-75(30-24-72)69(3)114-105-95(12,13)59-18-60-96(105,14)15/h19-54,61-63,67-69H,16-18,55-60,64-66H2,1-15H3/b100-97+,101-98+,102-99+.
What are the key properties of [4-[3,5-bis[4-[[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazenyl]phenoxy]phenoxy]phenyl]-[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazene?
[4-[3,5-bis[4-[[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazenyl]phenoxy]phenoxy]phenyl]-[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazene has a molecular weight of 1535.00 g/mol, XLogP of 28.15, 30 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,5-bis[4-[[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazenyl]phenoxy]phenoxy]phenyl]-[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxy]phenyl]diazene is sourced from PubChem (CID 101371640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).