5,11,17,23,29,35,41,47-octatert-butyl-49,50,51,52,53,54,55,56-octakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene

C144H224O32 — CID 11137075

IUPAC5,11,17,23,29,35,41,47-octatert-butyl-49,50,51,52,53,54,55,56-octakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene
SMILESCOCCOCCOCCOc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOC)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOC)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOC)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOC)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOC)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOC)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOC)C2
InChIInChI=1S/C144H224O32/c1-137(2,3)121-89-105-81-107-91-122(138(4,5)6)93-109(130(107)170-74-66-162-58-50-154-42-34-146-26)83-111-95-124(140(10,11)12)97-113(132(111)172-76-68-164-60-52-156-44-36-148-28)85-115-99-126(142(16,17)18)101-117(134(115)174-78-70-166-62-54-158-46-38-150-30)87-119-103-128(144(22,23)24)104-120(136(119)176-80-72-168-64-56-160-48-40-152-32)88-118-102-127(143(19,20)21)100-116(135(118)175-79-71-167-63-55-159-47-39-151-31)86-114-98-125(141(13,14)15)96-112(133(114)173-77-69-165-61-53-157-45-37-149-29)84-110-94-123(139(7,8)9)92-108(131(110)171-75-67-163-59-51-155-43-35-147-27)82-106(90-121)129(105)169-73-65-161-57-49-153-41-33-145-25/h89-104H,33-88H2,1-32H3
InChIKeyXUHRABXZVQWQTD-UHFFFAOYSA-N
MW2467.34 g/mol
LogP23.57
Rot. Bonds80

About 5,11,17,23,29,35,41,47-octatert-butyl-49,50,51,52,53,54,55,56-octakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene

5,11,17,23,29,35,41,47-octatert-butyl-49,50,51,52,53,54,55,56-octakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene (PubChem CID 11137075) has the molecular formula C144H224O32 and a molecular weight of 2467.34 g/mol. Its IUPAC name is 5,11,17,23,29,35,41,47-octatert-butyl-49,50,51,52,53,54,55,56-octakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene.

Molecular Properties

Compound Name5,11,17,23,29,35,41,47-octatert-butyl-49,50,51,52,53,54,55,56-octakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene
PubChem CID11137075
Molecular FormulaC144H224O32
Molecular Weight2467.34 g/mol
Exact Mass2465.59
IUPAC Name5,11,17,23,29,35,41,47-octatert-butyl-49,50,51,52,53,54,55,56-octakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene
SMILESCOCCOCCOCCOc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOC)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOC)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOC)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOC)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOC)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOC)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOC)C2
InChIInChI=1S/C144H224O32/c1-137(2,3)121-89-105-81-107-91-122(138(4,5)6)93-109(130(107)170-74-66-162-58-50-154-42-34-146-26)83-111-95-124(140(10,11)12)97-113(132(111)172-76-68-164-60-52-156-44-36-148-28)85-115-99-126(142(16,17)18)101-117(134(115)174-78-70-166-62-54-158-46-38-150-30)87-119-103-128(144(22,23)24)104-120(136(119)176-80-72-168-64-56-160-48-40-152-32)88-118-102-127(143(19,20)21)100-116(135(118)175-79-71-167-63-55-159-47-39-151-31)86-114-98-125(141(13,14)15)96-112(133(114)173-77-69-165-61-53-157-45-37-149-29)84-110-94-123(139(7,8)9)92-108(131(110)171-75-67-163-59-51-155-43-35-147-27)82-106(90-121)129(105)169-73-65-161-57-49-153-41-33-145-25/h89-104H,33-88H2,1-32H3
InChIKeyXUHRABXZVQWQTD-UHFFFAOYSA-N
XLogP23.57
TPSA295.36 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds80
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002467.34
LogP ≤ 523.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 5,11,17,23,29,35,41,47-octatert-butyl-49,50,51,52,53,54,55,56-octakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,11,17,23,29,35,41,47-octatert-butyl-49,50,51,52,53,54,55,56-octakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene?
The IUPAC name of 5,11,17,23,29,35,41,47-octatert-butyl-49,50,51,52,53,54,55,56-octakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene (CID 11137075) is 5,11,17,23,29,35,41,47-octatert-butyl-49,50,51,52,53,54,55,56-octakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene.
What is the SMILES notation for 5,11,17,23,29,35,41,47-octatert-butyl-49,50,51,52,53,54,55,56-octakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene?
The canonical SMILES for 5,11,17,23,29,35,41,47-octatert-butyl-49,50,51,52,53,54,55,56-octakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene is COCCOCCOCCOc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOC)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOC)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOC)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOC)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOC)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOC)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOC)C2.
What is the InChIKey of 5,11,17,23,29,35,41,47-octatert-butyl-49,50,51,52,53,54,55,56-octakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene?
The InChIKey is XUHRABXZVQWQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C144H224O32/c1-137(2,3)121-89-105-81-107-91-122(138(4,5)6)93-109(130(107)170-74-66-162-58-50-154-42-34-146-26)83-111-95-124(140(10,11)12)97-113(132(111)172-76-68-164-60-52-156-44-36-148-28)85-115-99-126(142(16,17)18)101-117(134(115)174-78-70-166-62-54-158-46-38-150-30)87-119-103-128(144(22,23)24)104-120(136(119)176-80-72-168-64-56-160-48-40-152-32)88-118-102-127(143(19,20)21)100-116(135(118)175-79-71-167-63-55-159-47-39-151-31)86-114-98-125(141(13,14)15)96-112(133(114)173-77-69-165-61-53-157-45-37-149-29)84-110-94-123(139(7,8)9)92-108(131(110)171-75-67-163-59-51-155-43-35-147-27)82-106(90-121)129(105)169-73-65-161-57-49-153-41-33-145-25/h89-104H,33-88H2,1-32H3.
What are the key properties of 5,11,17,23,29,35,41,47-octatert-butyl-49,50,51,52,53,54,55,56-octakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene?
5,11,17,23,29,35,41,47-octatert-butyl-49,50,51,52,53,54,55,56-octakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene has a molecular weight of 2467.34 g/mol, XLogP of 23.57, 80 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,17,23,29,35,41,47-octatert-butyl-49,50,51,52,53,54,55,56-octakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene is sourced from PubChem (CID 11137075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).