4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-[[(1R,2R)-2-[[5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-3-tert-butyl-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenol

C126H122N2O16 — CID 101147092

IUPAC4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-[[(1R,2R)-2-[[5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-3-tert-butyl-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenol
SMILESCC(C)(C)c1cc(OCc2cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)cc(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc(OCc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(C(C)(C)C)c2O)c1O
InChIInChI=1S/C126H122N2O16/c1-125(2,3)119-71-117(143-87-101-59-113(139-83-97-51-105(131-75-89-33-15-7-16-34-89)65-106(52-97)132-76-90-35-17-8-18-36-90)69-114(60-101)140-84-98-53-107(133-77-91-37-19-9-20-38-91)66-108(54-98)134-78-92-39-21-10-22-40-92)63-103(123(119)129)73-127-121-49-31-32-50-122(121)128-74-104-64-118(72-120(124(104)130)126(4,5)6)144-88-102-61-115(141-85-99-55-109(135-79-93-41-23-11-24-42-93)67-110(56-99)136-80-94-43-25-12-26-44-94)70-116(62-102)142-86-100-57-111(137-81-95-45-27-13-28-46-95)68-112(58-100)138-82-96-47-29-14-30-48-96/h7-30,33-48,51-74,121-122,129-130H,31-32,49-50,75-88H2,1-6H3/b127-73+,128-74+/t121-,122-/m1/s1
InChIKeyRGNIYISGLOLEDP-NSLGGBAYSA-N
MW1920.36 g/mol
LogP28.65
Rot. Bonds46

About 4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-[[(1R,2R)-2-[[5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-3-tert-butyl-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenol

4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-[[(1R,2R)-2-[[5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-3-tert-butyl-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenol (PubChem CID 101147092) has the molecular formula C126H122N2O16 and a molecular weight of 1920.36 g/mol. Its IUPAC name is 4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-[[(1R,2R)-2-[[5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-3-tert-butyl-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenol.

Molecular Properties

Compound Name4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-[[(1R,2R)-2-[[5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-3-tert-butyl-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenol
PubChem CID101147092
Molecular FormulaC126H122N2O16
Molecular Weight1920.36 g/mol
Exact Mass1918.88
IUPAC Name4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-[[(1R,2R)-2-[[5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-3-tert-butyl-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenol
SMILESCC(C)(C)c1cc(OCc2cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)cc(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc(OCc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(C(C)(C)C)c2O)c1O
InChIInChI=1S/C126H122N2O16/c1-125(2,3)119-71-117(143-87-101-59-113(139-83-97-51-105(131-75-89-33-15-7-16-34-89)65-106(52-97)132-76-90-35-17-8-18-36-90)69-114(60-101)140-84-98-53-107(133-77-91-37-19-9-20-38-91)66-108(54-98)134-78-92-39-21-10-22-40-92)63-103(123(119)129)73-127-121-49-31-32-50-122(121)128-74-104-64-118(72-120(124(104)130)126(4,5)6)144-88-102-61-115(141-85-99-55-109(135-79-93-41-23-11-24-42-93)67-110(56-99)136-80-94-43-25-12-26-44-94)70-116(62-102)142-86-100-57-111(137-81-95-45-27-13-28-46-95)68-112(58-100)138-82-96-47-29-14-30-48-96/h7-30,33-48,51-74,121-122,129-130H,31-32,49-50,75-88H2,1-6H3/b127-73+,128-74+/t121-,122-/m1/s1
InChIKeyRGNIYISGLOLEDP-NSLGGBAYSA-N
XLogP28.65
TPSA194.40 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds46
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001920.36
LogP ≤ 528.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-[[(1R,2R)-2-[[5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-3-tert-butyl-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenol with MolForge

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Related Compounds

2-tert-butyl-6-[[2-[[3-tert-butyl-5-(chloromethyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(chloromethyl)phenol
CID 136760098
2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese(3+)
CID 137305952
2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 137139639
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese;chloride
CID 146161249
cobalt(3+);2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;triiodide
CID 173086543
chromium;2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;chloride
CID 170923546
2-tert-butyl-6-[[(1S,2S)-2-[(3-tert-butyl-5-fluoro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-fluorophenol
CID 177446398
2-tert-butyl-6-[[2-[[3-tert-butyl-2-hydroxy-5-(4-hydroxybutyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(4-hydroxybutyl)phenol
CID 137213676
2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-methylsulfanylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methylsulfanylphenol
CID 137083149
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;trichlorochromium
CID 136664418
2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methylsulfanylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methylsulfanylphenol
CID 136672043
2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propan-2-ylphenol
CID 137091613

Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-[[(1R,2R)-2-[[5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-3-tert-butyl-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenol?
The IUPAC name of 4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-[[(1R,2R)-2-[[5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-3-tert-butyl-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenol (CID 101147092) is 4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-[[(1R,2R)-2-[[5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-3-tert-butyl-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenol.
What is the SMILES notation for 4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-[[(1R,2R)-2-[[5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-3-tert-butyl-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenol?
The canonical SMILES for 4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-[[(1R,2R)-2-[[5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-3-tert-butyl-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenol is CC(C)(C)c1cc(OCc2cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)cc(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc(OCc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(C(C)(C)C)c2O)c1O.
What is the InChIKey of 4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-[[(1R,2R)-2-[[5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-3-tert-butyl-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenol?
The InChIKey is RGNIYISGLOLEDP-NSLGGBAYSA-N. The full InChI is InChI=1S/C126H122N2O16/c1-125(2,3)119-71-117(143-87-101-59-113(139-83-97-51-105(131-75-89-33-15-7-16-34-89)65-106(52-97)132-76-90-35-17-8-18-36-90)69-114(60-101)140-84-98-53-107(133-77-91-37-19-9-20-38-91)66-108(54-98)134-78-92-39-21-10-22-40-92)63-103(123(119)129)73-127-121-49-31-32-50-122(121)128-74-104-64-118(72-120(124(104)130)126(4,5)6)144-88-102-61-115(141-85-99-55-109(135-79-93-41-23-11-24-42-93)67-110(56-99)136-80-94-43-25-12-26-44-94)70-116(62-102)142-86-100-57-111(137-81-95-45-27-13-28-46-95)68-112(58-100)138-82-96-47-29-14-30-48-96/h7-30,33-48,51-74,121-122,129-130H,31-32,49-50,75-88H2,1-6H3/b127-73+,128-74+/t121-,122-/m1/s1.
What are the key properties of 4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-[[(1R,2R)-2-[[5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-3-tert-butyl-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenol?
4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-[[(1R,2R)-2-[[5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-3-tert-butyl-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenol has a molecular weight of 1920.36 g/mol, XLogP of 28.65, 46 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-[[(1R,2R)-2-[[5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-3-tert-butyl-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenol is sourced from PubChem (CID 101147092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).