N-[4-[3,5-bis[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]-1-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methanimine

C78H96N6O6 — CID 101371647

IUPACN-[4-[3,5-bis[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]-1-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methanimine
SMILESCC(ON1C(C)(C)CCCC1(C)C)c1ccc(/C=N/c2ccc(Oc3cc(Oc4ccc(/N=C/c5ccc(C(C)ON6C(C)(C)CCCC6(C)C)cc5)cc4)cc(Oc4ccc(/N=C/c5ccc(C(C)ON6C(C)(C)CCCC6(C)C)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C78H96N6O6/c1-55(88-82-73(4,5)43-16-44-74(82,6)7)61-25-19-58(20-26-61)52-79-64-31-37-67(38-32-64)85-70-49-71(86-68-39-33-65(34-40-68)80-53-59-21-27-62(28-22-59)56(2)89-83-75(8,9)45-17-46-76(83,10)11)51-72(50-70)87-69-41-35-66(36-42-69)81-54-60-23-29-63(30-24-60)57(3)90-84-77(12,13)47-18-48-78(84,14)15/h19-42,49-57H,16-18,43-48H2,1-15H3/b79-52+,80-53+,81-54+
InChIKeyQBIXFWLKSIUDJY-YXBPLNSUSA-N
MW1213.66 g/mol
LogP21.42
Rot. Bonds21

About N-[4-[3,5-bis[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]-1-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methanimine

N-[4-[3,5-bis[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]-1-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methanimine (PubChem CID 101371647) has the molecular formula C78H96N6O6 and a molecular weight of 1213.66 g/mol. Its IUPAC name is N-[4-[3,5-bis[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]-1-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methanimine.

Molecular Properties

Compound NameN-[4-[3,5-bis[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]-1-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methanimine
PubChem CID101371647
Molecular FormulaC78H96N6O6
Molecular Weight1213.66 g/mol
Exact Mass1212.74
IUPAC NameN-[4-[3,5-bis[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]-1-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methanimine
SMILESCC(ON1C(C)(C)CCCC1(C)C)c1ccc(/C=N/c2ccc(Oc3cc(Oc4ccc(/N=C/c5ccc(C(C)ON6C(C)(C)CCCC6(C)C)cc5)cc4)cc(Oc4ccc(/N=C/c5ccc(C(C)ON6C(C)(C)CCCC6(C)C)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C78H96N6O6/c1-55(88-82-73(4,5)43-16-44-74(82,6)7)61-25-19-58(20-26-61)52-79-64-31-37-67(38-32-64)85-70-49-71(86-68-39-33-65(34-40-68)80-53-59-21-27-62(28-22-59)56(2)89-83-75(8,9)45-17-46-76(83,10)11)51-72(50-70)87-69-41-35-66(36-42-69)81-54-60-23-29-63(30-24-60)57(3)90-84-77(12,13)47-18-48-78(84,14)15/h19-42,49-57H,16-18,43-48H2,1-15H3/b79-52+,80-53+,81-54+
InChIKeyQBIXFWLKSIUDJY-YXBPLNSUSA-N
XLogP21.42
TPSA102.18 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001213.66
LogP ≤ 521.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-[3,5-bis[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]-1-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methanimine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]-1-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methanimine?
The IUPAC name of N-[4-[3,5-bis[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]-1-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methanimine (CID 101371647) is N-[4-[3,5-bis[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]-1-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methanimine.
What is the SMILES notation for N-[4-[3,5-bis[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]-1-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methanimine?
The canonical SMILES for N-[4-[3,5-bis[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]-1-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methanimine is CC(ON1C(C)(C)CCCC1(C)C)c1ccc(/C=N/c2ccc(Oc3cc(Oc4ccc(/N=C/c5ccc(C(C)ON6C(C)(C)CCCC6(C)C)cc5)cc4)cc(Oc4ccc(/N=C/c5ccc(C(C)ON6C(C)(C)CCCC6(C)C)cc5)cc4)c3)cc2)cc1.
What is the InChIKey of N-[4-[3,5-bis[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]-1-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methanimine?
The InChIKey is QBIXFWLKSIUDJY-YXBPLNSUSA-N. The full InChI is InChI=1S/C78H96N6O6/c1-55(88-82-73(4,5)43-16-44-74(82,6)7)61-25-19-58(20-26-61)52-79-64-31-37-67(38-32-64)85-70-49-71(86-68-39-33-65(34-40-68)80-53-59-21-27-62(28-22-59)56(2)89-83-75(8,9)45-17-46-76(83,10)11)51-72(50-70)87-69-41-35-66(36-42-69)81-54-60-23-29-63(30-24-60)57(3)90-84-77(12,13)47-18-48-78(84,14)15/h19-42,49-57H,16-18,43-48H2,1-15H3/b79-52+,80-53+,81-54+.
What are the key properties of N-[4-[3,5-bis[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]-1-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methanimine?
N-[4-[3,5-bis[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]-1-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methanimine has a molecular weight of 1213.66 g/mol, XLogP of 21.42, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis[4-[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]-1-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methanimine is sourced from PubChem (CID 101371647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).