24,30,36,41-tetratert-butyl-9,14-bis(2,5-dimethoxyphenyl)-45,46-dimethoxy-3,6,17,20-tetraoxa-10,13-dithiaoctacyclo[20.15.7.128,32.139,43.02,34.07,11.012,16.021,26]hexatetraconta-1,7(11),8,12(16),14,21,23,25,28(46),29,31,34,36,39,41,43(45)-hexadecaene

C74H86O10S2 — CID 101203039

About 24,30,36,41-tetratert-butyl-9,14-bis(2,5-dimethoxyphenyl)-45,46-dimethoxy-3,6,17,20-tetraoxa-10,13-dithiaoctacyclo[20.15.7.128,32.139,43.02,34.07,11.012,16.021,26]hexatetraconta-1,7(11),8,12(16),14,21,23,25,28(46),29,31,34,36,39,41,43(45)-hexadecaene

24,30,36,41-tetratert-butyl-9,14-bis(2,5-dimethoxyphenyl)-45,46-dimethoxy-3,6,17,20-tetraoxa-10,13-dithiaoctacyclo[20.15.7.128,32.139,43.02,34.07,11.012,16.021,26]hexatetraconta-1,7(11),8,12(16),14,21,23,25,28(46),29,31,34,36,39,41,43(45)-hexadecaene (PubChem CID 101203039) has the molecular formula C74H86O10S2 and a molecular weight of 1199.63 g/mol. Its IUPAC name is 24,30,36,41-tetratert-butyl-9,14-bis(2,5-dimethoxyphenyl)-45,46-dimethoxy-3,6,17,20-tetraoxa-10,13-dithiaoctacyclo[20.15.7.128,32.139,43.02,34.07,11.012,16.021,26]hexatetraconta-1,7(11),8,12(16),14,21,23,25,28(46),29,31,34,36,39,41,43(45)-hexadecaene.

Molecular Properties

• Compound Name: 24,30,36,41-tetratert-butyl-9,14-bis(2,5-dimethoxyphenyl)-45,46-dimethoxy-3,6,17,20-tetraoxa-10,13-dithiaoctacyclo[20.15.7.128,32.139,43.02,34.07,11.012,16.021,26]hexatetraconta-1,7(11),8,12(16),14,21,23,25,28(46),29,31,34,36,39,41,43(45)-hexadecaene
• PubChem CID: 101203039
• Molecular Formula: C74H86O10S2
• Molecular Weight: 1199.63 g/mol
• Exact Mass: 1198.57
• IUPAC Name: 24,30,36,41-tetratert-butyl-9,14-bis(2,5-dimethoxyphenyl)-45,46-dimethoxy-3,6,17,20-tetraoxa-10,13-dithiaoctacyclo[20.15.7.128,32.139,43.02,34.07,11.012,16.021,26]hexatetraconta-1,7(11),8,12(16),14,21,23,25,28(46),29,31,34,36,39,41,43(45)-hexadecaene
• SMILES: COc1ccc(OC)c(-c2cc3c(s2)-c2sc(-c4cc(OC)ccc4OC)cc2OCCOc2c4cc(C(C)(C)C)cc2Cc2cc(C(C)(C)C)cc(c2OC)Cc2cc(C(C)(C)C)cc(c2OCCO3)Cc2cc(C(C)(C)C)cc(c2OC)C4)c1
• InChI: InChI=1S/C74H86O10S2/c1-71(2,3)51-31-43-27-47-35-53(73(7,8)9)37-49-29-45-33-52(72(4,5)6)34-46(66(45)80-18)30-50-38-54(74(10,11)12)36-48(28-44(32-51)65(43)79-17)68(50)84-26-24-82-62-42-64(58-40-56(76-14)20-22-60(58)78-16)86-70(62)69-61(81-23-25-83-67(47)49)41-63(85-69)57-39-55(75-13)19-21-59(57)77-15/h19-22,31-42H,23-30H2,1-18H3
• InChIKey: PWVZGOWFAXOXKJ-UHFFFAOYSA-N
• XLogP: 17.96
• TPSA: 92.30 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1199.63
LogP ≤ 5	17.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 24,30,36,41-tetratert-butyl-9,14-bis(2,5-dimethoxyphenyl)-45,46-dimethoxy-3,6,17,20-tetraoxa-10,13-dithiaoctacyclo[20.15.7.128,32.139,43.02,34.07,11.012,16.021,26]hexatetraconta-1,7(11),8,12(16),14,21,23,25,28(46),29,31,34,36,39,41,43(45)-hexadecaene?

The IUPAC name of 24,30,36,41-tetratert-butyl-9,14-bis(2,5-dimethoxyphenyl)-45,46-dimethoxy-3,6,17,20-tetraoxa-10,13-dithiaoctacyclo[20.15.7.128,32.139,43.02,34.07,11.012,16.021,26]hexatetraconta-1,7(11),8,12(16),14,21,23,25,28(46),29,31,34,36,39,41,43(45)-hexadecaene (CID 101203039) is 24,30,36,41-tetratert-butyl-9,14-bis(2,5-dimethoxyphenyl)-45,46-dimethoxy-3,6,17,20-tetraoxa-10,13-dithiaoctacyclo[20.15.7.128,32.139,43.02,34.07,11.012,16.021,26]hexatetraconta-1,7(11),8,12(16),14,21,23,25,28(46),29,31,34,36,39,41,43(45)-hexadecaene.

What is the SMILES notation for 24,30,36,41-tetratert-butyl-9,14-bis(2,5-dimethoxyphenyl)-45,46-dimethoxy-3,6,17,20-tetraoxa-10,13-dithiaoctacyclo[20.15.7.128,32.139,43.02,34.07,11.012,16.021,26]hexatetraconta-1,7(11),8,12(16),14,21,23,25,28(46),29,31,34,36,39,41,43(45)-hexadecaene?

The canonical SMILES for 24,30,36,41-tetratert-butyl-9,14-bis(2,5-dimethoxyphenyl)-45,46-dimethoxy-3,6,17,20-tetraoxa-10,13-dithiaoctacyclo[20.15.7.128,32.139,43.02,34.07,11.012,16.021,26]hexatetraconta-1,7(11),8,12(16),14,21,23,25,28(46),29,31,34,36,39,41,43(45)-hexadecaene is COc1ccc(OC)c(-c2cc3c(s2)-c2sc(-c4cc(OC)ccc4OC)cc2OCCOc2c4cc(C(C)(C)C)cc2Cc2cc(C(C)(C)C)cc(c2OC)Cc2cc(C(C)(C)C)cc(c2OCCO3)Cc2cc(C(C)(C)C)cc(c2OC)C4)c1.

What is the InChIKey of 24,30,36,41-tetratert-butyl-9,14-bis(2,5-dimethoxyphenyl)-45,46-dimethoxy-3,6,17,20-tetraoxa-10,13-dithiaoctacyclo[20.15.7.128,32.139,43.02,34.07,11.012,16.021,26]hexatetraconta-1,7(11),8,12(16),14,21,23,25,28(46),29,31,34,36,39,41,43(45)-hexadecaene?

The InChIKey is PWVZGOWFAXOXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H86O10S2/c1-71(2,3)51-31-43-27-47-35-53(73(7,8)9)37-49-29-45-33-52(72(4,5)6)34-46(66(45)80-18)30-50-38-54(74(10,11)12)36-48(28-44(32-51)65(43)79-17)68(50)84-26-24-82-62-42-64(58-40-56(76-14)20-22-60(58)78-16)86-70(62)69-61(81-23-25-83-67(47)49)41-63(85-69)57-39-55(75-13)19-21-59(57)77-15/h19-22,31-42H,23-30H2,1-18H3.

What are the key properties of 24,30,36,41-tetratert-butyl-9,14-bis(2,5-dimethoxyphenyl)-45,46-dimethoxy-3,6,17,20-tetraoxa-10,13-dithiaoctacyclo[20.15.7.128,32.139,43.02,34.07,11.012,16.021,26]hexatetraconta-1,7(11),8,12(16),14,21,23,25,28(46),29,31,34,36,39,41,43(45)-hexadecaene?

24,30,36,41-tetratert-butyl-9,14-bis(2,5-dimethoxyphenyl)-45,46-dimethoxy-3,6,17,20-tetraoxa-10,13-dithiaoctacyclo[20.15.7.128,32.139,43.02,34.07,11.012,16.021,26]hexatetraconta-1,7(11),8,12(16),14,21,23,25,28(46),29,31,34,36,39,41,43(45)-hexadecaene has a molecular weight of 1199.63 g/mol, XLogP of 17.96, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 24,30,36,41-tetratert-butyl-9,14-bis(2,5-dimethoxyphenyl)-45,46-dimethoxy-3,6,17,20-tetraoxa-10,13-dithiaoctacyclo[20.15.7.128,32.139,43.02,34.07,11.012,16.021,26]hexatetraconta-1,7(11),8,12(16),14,21,23,25,28(46),29,31,34,36,39,41,43(45)-hexadecaene is sourced from PubChem (CID 101203039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).