5,11,17,23,29,35,41,47-octatert-butyl-2,8,14,20,26,32,38,44-octakis(2,4-dimethylphenyl)-49,50,51,52,53,54,55,56-octamethoxynonacyclo[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

C160H192O8 — CID 53496277

IUPAC5,11,17,23,29,35,41,47-octatert-butyl-2,8,14,20,26,32,38,44-octakis(2,4-dimethylphenyl)-49,50,51,52,53,54,55,56-octamethoxynonacyclo[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
SMILESCOc1c2cc(C(C)(C)C)cc1C(c1ccc(C)cc1C)c1cc(C(C)(C)C)cc(c1OC)C(c1ccc(C)cc1C)c1cc(C(C)(C)C)cc(c1OC)C(c1ccc(C)cc1C)c1cc(C(C)(C)C)cc(c1OC)C(c1ccc(C)cc1C)c1cc(C(C)(C)C)cc(c1OC)C(c1ccc(C)cc1C)c1cc(C(C)(C)C)cc(c1OC)C(c1ccc(C)cc1C)c1cc(C(C)(C)C)cc(c1OC)C(c1ccc(C)cc1C)c1cc(C(C)(C)C)cc(c1OC)C2c1ccc(C)cc1C
InChIInChI=1S/C160H192O8/c1-89-49-57-113(97(9)65-89)137-121-73-105(153(17,18)19)75-123(145(121)161-41)138(114-58-50-90(2)66-98(114)10)125-77-107(155(23,24)25)79-127(147(125)163-43)140(116-60-52-92(4)68-100(116)12)129-81-109(157(29,30)31)83-131(149(129)165-45)142(118-62-54-94(6)70-102(118)14)133-85-111(159(35,36)37)87-135(151(133)167-47)144(120-64-56-96(8)72-104(120)16)136-88-112(160(38,39)40)86-134(152(136)168-48)143(119-63-55-95(7)71-103(119)15)132-84-110(158(32,33)34)82-130(150(132)166-46)141(117-61-53-93(5)69-101(117)13)128-80-108(156(26,27)28)78-126(148(128)164-44)139(115-59-51-91(3)67-99(115)11)124-76-106(154(20,21)22)74-122(137)146(124)162-42/h49-88,137-144H,1-48H3
InChIKeyHPBZEVFCFIZPDA-UHFFFAOYSA-N
MW2243.29 g/mol
LogP40.83
Rot. Bonds16

About 5,11,17,23,29,35,41,47-octatert-butyl-2,8,14,20,26,32,38,44-octakis(2,4-dimethylphenyl)-49,50,51,52,53,54,55,56-octamethoxynonacyclo[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-2,8,14,20,26,32,38,44-octakis(2,4-dimethylphenyl)-49,50,51,52,53,54,55,56-octamethoxynonacyclo[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 53496277) has the molecular formula C160H192O8 and a molecular weight of 2243.29 g/mol. Its IUPAC name is 5,11,17,23,29,35,41,47-octatert-butyl-2,8,14,20,26,32,38,44-octakis(2,4-dimethylphenyl)-49,50,51,52,53,54,55,56-octamethoxynonacyclo[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-2,8,14,20,26,32,38,44-octakis(2,4-dimethylphenyl)-49,50,51,52,53,54,55,56-octamethoxynonacyclo[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 CID53496277
Molecular FormulaC160H192O8
Molecular Weight2243.29 g/mol
Exact Mass2241.46
IUPAC Name5,11,17,23,29,35,41,47-octatert-butyl-2,8,14,20,26,32,38,44-octakis(2,4-dimethylphenyl)-49,50,51,52,53,54,55,56-octamethoxynonacyclo[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
SMILESCOc1c2cc(C(C)(C)C)cc1C(c1ccc(C)cc1C)c1cc(C(C)(C)C)cc(c1OC)C(c1ccc(C)cc1C)c1cc(C(C)(C)C)cc(c1OC)C(c1ccc(C)cc1C)c1cc(C(C)(C)C)cc(c1OC)C(c1ccc(C)cc1C)c1cc(C(C)(C)C)cc(c1OC)C(c1ccc(C)cc1C)c1cc(C(C)(C)C)cc(c1OC)C(c1ccc(C)cc1C)c1cc(C(C)(C)C)cc(c1OC)C(c1ccc(C)cc1C)c1cc(C(C)(C)C)cc(c1OC)C2c1ccc(C)cc1C
InChIInChI=1S/C160H192O8/c1-89-49-57-113(97(9)65-89)137-121-73-105(153(17,18)19)75-123(145(121)161-41)138(114-58-50-90(2)66-98(114)10)125-77-107(155(23,24)25)79-127(147(125)163-43)140(116-60-52-92(4)68-100(116)12)129-81-109(157(29,30)31)83-131(149(129)165-45)142(118-62-54-94(6)70-102(118)14)133-85-111(159(35,36)37)87-135(151(133)167-47)144(120-64-56-96(8)72-104(120)16)136-88-112(160(38,39)40)86-134(152(136)168-48)143(119-63-55-95(7)71-103(119)15)132-84-110(158(32,33)34)82-130(150(132)166-46)141(117-61-53-93(5)69-101(117)13)128-80-108(156(26,27)28)78-126(148(128)164-44)139(115-59-51-91(3)67-99(115)11)124-76-106(154(20,21)22)74-122(137)146(124)162-42/h49-88,137-144H,1-48H3
InChIKeyHPBZEVFCFIZPDA-UHFFFAOYSA-N
XLogP40.83
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002243.29
LogP ≤ 540.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5,11,17,23,29,35,41,47-octatert-butyl-2,8,14,20,26,32,38,44-octakis(2,4-dimethylphenyl)-49,50,51,52,53,54,55,56-octamethoxynonacyclo[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-2,8,14,20,26,32,38,44-octakis(2,4-dimethylphenyl)-49,50,51,52,53,54,55,56-octamethoxynonacyclo[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-2,8,14,20,26,32,38,44-octakis(2,4-dimethylphenyl)-49,50,51,52,53,54,55,56-octamethoxynonacyclo[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 53496277) is 5,11,17,23,29,35,41,47-octatert-butyl-2,8,14,20,26,32,38,44-octakis(2,4-dimethylphenyl)-49,50,51,52,53,54,55,56-octamethoxynonacyclo[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-2,8,14,20,26,32,38,44-octakis(2,4-dimethylphenyl)-49,50,51,52,53,54,55,56-octamethoxynonacyclo[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-2,8,14,20,26,32,38,44-octakis(2,4-dimethylphenyl)-49,50,51,52,53,54,55,56-octamethoxynonacyclo[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 COc1c2cc(C(C)(C)C)cc1C(c1ccc(C)cc1C)c1cc(C(C)(C)C)cc(c1OC)C(c1ccc(C)cc1C)c1cc(C(C)(C)C)cc(c1OC)C(c1ccc(C)cc1C)c1cc(C(C)(C)C)cc(c1OC)C(c1ccc(C)cc1C)c1cc(C(C)(C)C)cc(c1OC)C(c1ccc(C)cc1C)c1cc(C(C)(C)C)cc(c1OC)C(c1ccc(C)cc1C)c1cc(C(C)(C)C)cc(c1OC)C(c1ccc(C)cc1C)c1cc(C(C)(C)C)cc(c1OC)C2c1ccc(C)cc1C.
What is the InChIKey of 5,11,17,23,29,35,41,47-octatert-butyl-2,8,14,20,26,32,38,44-octakis(2,4-dimethylphenyl)-49,50,51,52,53,54,55,56-octamethoxynonacyclo[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 HPBZEVFCFIZPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C160H192O8/c1-89-49-57-113(97(9)65-89)137-121-73-105(153(17,18)19)75-123(145(121)161-41)138(114-58-50-90(2)66-98(114)10)125-77-107(155(23,24)25)79-127(147(125)163-43)140(116-60-52-92(4)68-100(116)12)129-81-109(157(29,30)31)83-131(149(129)165-45)142(118-62-54-94(6)70-102(118)14)133-85-111(159(35,36)37)87-135(151(133)167-47)144(120-64-56-96(8)72-104(120)16)136-88-112(160(38,39)40)86-134(152(136)168-48)143(119-63-55-95(7)71-103(119)15)132-84-110(158(32,33)34)82-130(150(132)166-46)141(117-61-53-93(5)69-101(117)13)128-80-108(156(26,27)28)78-126(148(128)164-44)139(115-59-51-91(3)67-99(115)11)124-76-106(154(20,21)22)74-122(137)146(124)162-42/h49-88,137-144H,1-48H3.
What are the key properties of 5,11,17,23,29,35,41,47-octatert-butyl-2,8,14,20,26,32,38,44-octakis(2,4-dimethylphenyl)-49,50,51,52,53,54,55,56-octamethoxynonacyclo[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-2,8,14,20,26,32,38,44-octakis(2,4-dimethylphenyl)-49,50,51,52,53,54,55,56-octamethoxynonacyclo[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 2243.29 g/mol, XLogP of 40.83, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,17,23,29,35,41,47-octatert-butyl-2,8,14,20,26,32,38,44-octakis(2,4-dimethylphenyl)-49,50,51,52,53,54,55,56-octamethoxynonacyclo[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 53496277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).