5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-(dimethylamino)ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-(dimethylamino)ethyl] 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-(2-hydroxyethoxy)-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-(2-hydroxyethyl) 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2,4,4-tetramethylpentanedioate

C230H300N2O56S3 — CID 157206237

IUPAC5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-(dimethylamino)ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-(dimethylamino)ethyl] 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-(2-hydroxyethoxy)-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-(2-hydroxyethyl) 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2,4,4-tetramethylpentanedioate
SMILESCC(C)(CC(C)(C)C(=O)Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(OC(=O)C(C)(C)CC(C)(C)C(=O)OCCO)cc6)cc5)cc4)cc3)cc2)cc1)C(=O)OCCO.CN(C)CCOC(=O)C(C)(C)CC(C)(C)C(=O)Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(OC(=O)C(C)(C)CC(C)(C)C(=O)OCCN(C)C)cc6)cc5)cc4)cc3)cc2)cc1.COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(C)(C)CC(C)(C)C(=O)Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(OC(=O)C(C)(C)CC(C)(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C98H142O30S.C68H84N2O12S.C64H74O14S/c1-93(2,89(99)123-73-71-121-69-67-119-65-63-117-61-59-115-57-55-113-53-51-111-49-47-109-45-43-107-41-39-105-13)75-95(5,6)91(101)127-85-27-19-79(20-28-85)97(9,10)77-15-23-81(24-16-77)125-83-31-35-87(36-32-83)129(103,104)88-37-33-84(34-38-88)126-82-25-17-78(18-26-82)98(11,12)80-21-29-86(30-22-80)128-92(102)96(7,8)76-94(3,4)90(100)124-74-72-122-70-68-120-66-64-118-62-60-116-58-56-114-54-52-112-50-48-110-46-44-108-42-40-106-14;1-63(2,59(71)77-43-41-69(13)14)45-65(5,6)61(73)81-55-29-21-49(22-30-55)67(9,10)47-17-25-51(26-18-47)79-53-33-37-57(38-34-53)83(75,76)58-39-35-54(36-40-58)80-52-27-19-48(20-28-52)68(11,12)50-23-31-56(32-24-50)82-62(74)66(7,8)46-64(3,4)60(72)78-44-42-70(15)16;1-59(2,55(67)73-39-37-65)41-61(5,6)57(69)77-51-25-17-45(18-26-51)63(9,10)43-13-21-47(22-14-43)75-49-29-33-53(34-30-49)79(71,72)54-35-31-50(32-36-54)76-48-23-15-44(16-24-48)64(11,12)46-19-27-52(28-20-46)78-58(70)62(7,8)42-60(3,4)56(68)74-40-38-66/h15-38H,39-76H2,1-14H3;17-40H,41-46H2,1-16H3;13-36,65-66H,37-42H2,1-12H3
InChIKeyARJWOONYYCCCPR-UHFFFAOYSA-N
MW4085.09 g/mol
LogP40.28
Rot. Bonds124

About 5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-(dimethylamino)ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-(dimethylamino)ethyl] 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-(2-hydroxyethoxy)-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-(2-hydroxyethyl) 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2,4,4-tetramethylpentanedioate

5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-(dimethylamino)ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-(dimethylamino)ethyl] 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-(2-hydroxyethoxy)-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-(2-hydroxyethyl) 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2,4,4-tetramethylpentanedioate (PubChem CID 157206237) has the molecular formula C230H300N2O56S3 and a molecular weight of 4085.09 g/mol. Its IUPAC name is 5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-(dimethylamino)ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-(dimethylamino)ethyl] 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-(2-hydroxyethoxy)-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-(2-hydroxyethyl) 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2,4,4-tetramethylpentanedioate.

Molecular Properties

Compound Name5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-(dimethylamino)ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-(dimethylamino)ethyl] 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-(2-hydroxyethoxy)-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-(2-hydroxyethyl) 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2,4,4-tetramethylpentanedioate
PubChem CID157206237
Molecular FormulaC230H300N2O56S3
Molecular Weight4085.09 g/mol
Exact Mass4081.99
IUPAC Name5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-(dimethylamino)ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-(dimethylamino)ethyl] 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-(2-hydroxyethoxy)-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-(2-hydroxyethyl) 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2,4,4-tetramethylpentanedioate
SMILESCC(C)(CC(C)(C)C(=O)Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(OC(=O)C(C)(C)CC(C)(C)C(=O)OCCO)cc6)cc5)cc4)cc3)cc2)cc1)C(=O)OCCO.CN(C)CCOC(=O)C(C)(C)CC(C)(C)C(=O)Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(OC(=O)C(C)(C)CC(C)(C)C(=O)OCCN(C)C)cc6)cc5)cc4)cc3)cc2)cc1.COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(C)(C)CC(C)(C)C(=O)Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(OC(=O)C(C)(C)CC(C)(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C98H142O30S.C68H84N2O12S.C64H74O14S/c1-93(2,89(99)123-73-71-121-69-67-119-65-63-117-61-59-115-57-55-113-53-51-111-49-47-109-45-43-107-41-39-105-13)75-95(5,6)91(101)127-85-27-19-79(20-28-85)97(9,10)77-15-23-81(24-16-77)125-83-31-35-87(36-32-83)129(103,104)88-37-33-84(34-38-88)126-82-25-17-78(18-26-82)98(11,12)80-21-29-86(30-22-80)128-92(102)96(7,8)76-94(3,4)90(100)124-74-72-122-70-68-120-66-64-118-62-60-116-58-56-114-54-52-112-50-48-110-46-44-108-42-40-106-14;1-63(2,59(71)77-43-41-69(13)14)45-65(5,6)61(73)81-55-29-21-49(22-30-55)67(9,10)47-17-25-51(26-18-47)79-53-33-37-57(38-34-53)83(75,76)58-39-35-54(36-40-58)80-52-27-19-48(20-28-52)68(11,12)50-23-31-56(32-24-50)82-62(74)66(7,8)46-64(3,4)60(72)78-44-42-70(15)16;1-59(2,55(67)73-39-37-65)41-61(5,6)57(69)77-51-25-17-45(18-26-51)63(9,10)43-13-21-47(22-14-43)75-49-29-33-53(34-30-49)79(71,72)54-35-31-50(32-36-54)76-48-23-15-44(16-24-48)64(11,12)46-19-27-52(28-20-46)78-58(70)62(7,8)42-60(3,4)56(68)74-40-38-66/h15-38H,39-76H2,1-14H3;17-40H,41-46H2,1-16H3;13-36,65-66H,37-42H2,1-12H3
InChIKeyARJWOONYYCCCPR-UHFFFAOYSA-N
XLogP40.28
TPSA686.48 Ų
H-Bond Donors2
H-Bond Acceptors58
Rotatable Bonds124
Heavy Atoms291
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004085.09
LogP ≤ 540.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-(dimethylamino)ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-(dimethylamino)ethyl] 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-(2-hydroxyethoxy)-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-(2-hydroxyethyl) 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2,4,4-tetramethylpentanedioate with MolForge

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Launch Full Analysis

Related Compounds

1-O-[4-[2-[4-[4-[4-(4-tert-butylphenoxy)phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 5-O-(2-methoxyethyl) 2,2,4,4-tetramethylpentanedioate
CID 58453449
1-O-[4-[4-(4-tert-butylphenoxy)phenyl]sulfonylphenyl] 5-O-[2-(dimethylamino)ethyl] 2,2,4,4-tetramethylpentanedioate
CID 58453450
5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-(dimethylamino)ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-(dimethylamino)ethyl] 2,2,4,4-tetramethylpentanedioate
CID 58453451
1-O-[4-[2-[4-[4-[4-(4-tert-butylphenoxy)phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 3-O-(2-hydroxyethyl) 5-O-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 1,1,3,5-tetramethylhexane-1,3,5-tricarboxylate
CID 58453455
1-O-[4-[4-(4-tert-butylphenoxy)phenyl]sulfonylphenyl] 5-O-(2-hydroxyethyl) 2,2,4,4-tetramethylpentanedioate
CID 58453456
5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-(2-methoxyethoxy)-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-(2-methoxyethyl) 2,2,4,4-tetramethylpentanedioate
CID 58453457
1-O-[4-[4-(4-tert-butylphenoxy)phenyl]sulfonylphenyl] 5-O-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2,4,4-tetramethylpentanedioate
CID 58453458
1-O-[4-[2-[4-[4-[4-(4-tert-butylphenoxy)phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 5-O-(2-hydroxyethyl) 2,2,4,4-tetramethylpentanedioate
CID 58453459
1-O-[4-[2-[4-[4-[4-[4-[2-[4-[4-bromo-5-(2-hydroxyethoxy)-2,2,4-trimethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 5-O-(2-hydroxyethyl) 4-bromo-2,2,4-trimethylpentanedioate
CID 58453462
5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-(2-hydroxyethoxy)-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-(2-hydroxyethyl) 2,2,4,4-tetramethylpentanedioate
CID 58453464
Benzyl-[2-[5-[4-[2-[4-[4-[4-(4-tert-butylphenoxy)phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyethyl]-dimethylazanium
CID 58453465
2-[4-[2-[4-(1-Cyano-2-methoxy-2-oxoethylidene)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoethylidene]-1-pyridinyl]ethyl 4,4-bis[4-[4-(benzenesulfonyl)phenoxy]phenyl]pentanoate
CID 58703869

Frequently Asked Questions

What is the IUPAC name of 5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-(dimethylamino)ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-(dimethylamino)ethyl] 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-(2-hydroxyethoxy)-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-(2-hydroxyethyl) 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2,4,4-tetramethylpentanedioate?
The IUPAC name of 5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-(dimethylamino)ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-(dimethylamino)ethyl] 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-(2-hydroxyethoxy)-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-(2-hydroxyethyl) 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2,4,4-tetramethylpentanedioate (CID 157206237) is 5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-(dimethylamino)ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-(dimethylamino)ethyl] 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-(2-hydroxyethoxy)-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-(2-hydroxyethyl) 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2,4,4-tetramethylpentanedioate.
What is the SMILES notation for 5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-(dimethylamino)ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-(dimethylamino)ethyl] 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-(2-hydroxyethoxy)-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-(2-hydroxyethyl) 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2,4,4-tetramethylpentanedioate?
The canonical SMILES for 5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-(dimethylamino)ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-(dimethylamino)ethyl] 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-(2-hydroxyethoxy)-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-(2-hydroxyethyl) 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2,4,4-tetramethylpentanedioate is CC(C)(CC(C)(C)C(=O)Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(OC(=O)C(C)(C)CC(C)(C)C(=O)OCCO)cc6)cc5)cc4)cc3)cc2)cc1)C(=O)OCCO.CN(C)CCOC(=O)C(C)(C)CC(C)(C)C(=O)Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(OC(=O)C(C)(C)CC(C)(C)C(=O)OCCN(C)C)cc6)cc5)cc4)cc3)cc2)cc1.COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(C)(C)CC(C)(C)C(=O)Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(OC(=O)C(C)(C)CC(C)(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-(dimethylamino)ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-(dimethylamino)ethyl] 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-(2-hydroxyethoxy)-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-(2-hydroxyethyl) 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2,4,4-tetramethylpentanedioate?
The InChIKey is ARJWOONYYCCCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H142O30S.C68H84N2O12S.C64H74O14S/c1-93(2,89(99)123-73-71-121-69-67-119-65-63-117-61-59-115-57-55-113-53-51-111-49-47-109-45-43-107-41-39-105-13)75-95(5,6)91(101)127-85-27-19-79(20-28-85)97(9,10)77-15-23-81(24-16-77)125-83-31-35-87(36-32-83)129(103,104)88-37-33-84(34-38-88)126-82-25-17-78(18-26-82)98(11,12)80-21-29-86(30-22-80)128-92(102)96(7,8)76-94(3,4)90(100)124-74-72-122-70-68-120-66-64-118-62-60-116-58-56-114-54-52-112-50-48-110-46-44-108-42-40-106-14;1-63(2,59(71)77-43-41-69(13)14)45-65(5,6)61(73)81-55-29-21-49(22-30-55)67(9,10)47-17-25-51(26-18-47)79-53-33-37-57(38-34-53)83(75,76)58-39-35-54(36-40-58)80-52-27-19-48(20-28-52)68(11,12)50-23-31-56(32-24-50)82-62(74)66(7,8)46-64(3,4)60(72)78-44-42-70(15)16;1-59(2,55(67)73-39-37-65)41-61(5,6)57(69)77-51-25-17-45(18-26-51)63(9,10)43-13-21-47(22-14-43)75-49-29-33-53(34-30-49)79(71,72)54-35-31-50(32-36-54)76-48-23-15-44(16-24-48)64(11,12)46-19-27-52(28-20-46)78-58(70)62(7,8)42-60(3,4)56(68)74-40-38-66/h15-38H,39-76H2,1-14H3;17-40H,41-46H2,1-16H3;13-36,65-66H,37-42H2,1-12H3.
What are the key properties of 5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-(dimethylamino)ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-(dimethylamino)ethyl] 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-(2-hydroxyethoxy)-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-(2-hydroxyethyl) 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2,4,4-tetramethylpentanedioate?
5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-(dimethylamino)ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-(dimethylamino)ethyl] 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-(2-hydroxyethoxy)-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-(2-hydroxyethyl) 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2,4,4-tetramethylpentanedioate has a molecular weight of 4085.09 g/mol, XLogP of 40.28, 124 rotatable bonds, 2 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-(dimethylamino)ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-(dimethylamino)ethyl] 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-(2-hydroxyethoxy)-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-(2-hydroxyethyl) 2,2,4,4-tetramethylpentanedioate;5-O-[4-[2-[4-[4-[4-[4-[2-[4-[5-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2,4,4-tetramethyl-5-oxopentanoyl]oxyphenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenyl] 1-O-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2,4,4-tetramethylpentanedioate is sourced from PubChem (CID 157206237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).