4,19,35,41-tetrapropoxy-2λ6,7λ6,12λ6,17λ6,22λ6,27λ6-hexathiaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(30),3(42),4,6(41),8(40),9,11(39),13(38),14,16(37),18(36),19,21(35),23,25,28,31,33-octadecaene 2,2,7,7,12,12,17,17,22,22,27,27-dodecaoxide

C48H48O16S6 — CID 166445907

About 4,19,35,41-tetrapropoxy-2λ6,7λ6,12λ6,17λ6,22λ6,27λ6-hexathiaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(30),3(42),4,6(41),8(40),9,11(39),13(38),14,16(37),18(36),19,21(35),23,25,28,31,33-octadecaene 2,2,7,7,12,12,17,17,22,22,27,27-dodecaoxide

4,19,35,41-tetrapropoxy-2λ6,7λ6,12λ6,17λ6,22λ6,27λ6-hexathiaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(30),3(42),4,6(41),8(40),9,11(39),13(38),14,16(37),18(36),19,21(35),23,25,28,31,33-octadecaene 2,2,7,7,12,12,17,17,22,22,27,27-dodecaoxide (PubChem CID 166445907) has the molecular formula C48H48O16S6 and a molecular weight of 1073.30 g/mol. Its IUPAC name is 4,19,35,41-tetrapropoxy-2λ6,7λ6,12λ6,17λ6,22λ6,27λ6-hexathiaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(30),3(42),4,6(41),8(40),9,11(39),13(38),14,16(37),18(36),19,21(35),23,25,28,31,33-octadecaene 2,2,7,7,12,12,17,17,22,22,27,27-dodecaoxide.

Molecular Properties

• Compound Name: 4,19,35,41-tetrapropoxy-2λ6,7λ6,12λ6,17λ6,22λ6,27λ6-hexathiaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(30),3(42),4,6(41),8(40),9,11(39),13(38),14,16(37),18(36),19,21(35),23,25,28,31,33-octadecaene 2,2,7,7,12,12,17,17,22,22,27,27-dodecaoxide
• PubChem CID: 166445907
• Molecular Formula: C48H48O16S6
• Molecular Weight: 1073.30 g/mol
• Exact Mass: 1072.13
• IUPAC Name: 4,19,35,41-tetrapropoxy-2λ6,7λ6,12λ6,17λ6,22λ6,27λ6-hexathiaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(30),3(42),4,6(41),8(40),9,11(39),13(38),14,16(37),18(36),19,21(35),23,25,28,31,33-octadecaene 2,2,7,7,12,12,17,17,22,22,27,27-dodecaoxide
• SMILES: CCCOc1cc2c(OCCC)cc1S(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)c1cc(OCCC)c(cc1OCCC)S(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)S2(=O)=O
• InChI: InChI=1S/C48H48O16S6/c1-5-25-61-41-29-46-42(62-26-6-2)30-45(41)67(53,54)37-17-9-33(10-18-37)65(49,50)35-13-21-39(22-14-35)69(57,58)47-31-44(64-28-8-4)48(32-43(47)63-27-7-3)70(59,60)40-23-15-36(16-24-40)66(51,52)34-11-19-38(20-12-34)68(46,55)56/h9-24,29-32H,5-8,25-28H2,1-4H3
• InChIKey: VTRSTLCYHPWYEG-UHFFFAOYSA-N
• XLogP: 8.15
• TPSA: 241.76 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1073.30
LogP ≤ 5	8.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4,19,35,41-tetrapropoxy-2λ6,7λ6,12λ6,17λ6,22λ6,27λ6-hexathiaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(30),3(42),4,6(41),8(40),9,11(39),13(38),14,16(37),18(36),19,21(35),23,25,28,31,33-octadecaene 2,2,7,7,12,12,17,17,22,22,27,27-dodecaoxide?

The IUPAC name of 4,19,35,41-tetrapropoxy-2λ6,7λ6,12λ6,17λ6,22λ6,27λ6-hexathiaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(30),3(42),4,6(41),8(40),9,11(39),13(38),14,16(37),18(36),19,21(35),23,25,28,31,33-octadecaene 2,2,7,7,12,12,17,17,22,22,27,27-dodecaoxide (CID 166445907) is 4,19,35,41-tetrapropoxy-2λ6,7λ6,12λ6,17λ6,22λ6,27λ6-hexathiaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(30),3(42),4,6(41),8(40),9,11(39),13(38),14,16(37),18(36),19,21(35),23,25,28,31,33-octadecaene 2,2,7,7,12,12,17,17,22,22,27,27-dodecaoxide.

What is the SMILES notation for 4,19,35,41-tetrapropoxy-2λ6,7λ6,12λ6,17λ6,22λ6,27λ6-hexathiaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(30),3(42),4,6(41),8(40),9,11(39),13(38),14,16(37),18(36),19,21(35),23,25,28,31,33-octadecaene 2,2,7,7,12,12,17,17,22,22,27,27-dodecaoxide?

The canonical SMILES for 4,19,35,41-tetrapropoxy-2λ6,7λ6,12λ6,17λ6,22λ6,27λ6-hexathiaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(30),3(42),4,6(41),8(40),9,11(39),13(38),14,16(37),18(36),19,21(35),23,25,28,31,33-octadecaene 2,2,7,7,12,12,17,17,22,22,27,27-dodecaoxide is CCCOc1cc2c(OCCC)cc1S(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)c1cc(OCCC)c(cc1OCCC)S(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)S2(=O)=O.

What is the InChIKey of 4,19,35,41-tetrapropoxy-2λ6,7λ6,12λ6,17λ6,22λ6,27λ6-hexathiaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(30),3(42),4,6(41),8(40),9,11(39),13(38),14,16(37),18(36),19,21(35),23,25,28,31,33-octadecaene 2,2,7,7,12,12,17,17,22,22,27,27-dodecaoxide?

The InChIKey is VTRSTLCYHPWYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H48O16S6/c1-5-25-61-41-29-46-42(62-26-6-2)30-45(41)67(53,54)37-17-9-33(10-18-37)65(49,50)35-13-21-39(22-14-35)69(57,58)47-31-44(64-28-8-4)48(32-43(47)63-27-7-3)70(59,60)40-23-15-36(16-24-40)66(51,52)34-11-19-38(20-12-34)68(46,55)56/h9-24,29-32H,5-8,25-28H2,1-4H3.

What are the key properties of 4,19,35,41-tetrapropoxy-2λ6,7λ6,12λ6,17λ6,22λ6,27λ6-hexathiaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(30),3(42),4,6(41),8(40),9,11(39),13(38),14,16(37),18(36),19,21(35),23,25,28,31,33-octadecaene 2,2,7,7,12,12,17,17,22,22,27,27-dodecaoxide?

4,19,35,41-tetrapropoxy-2λ6,7λ6,12λ6,17λ6,22λ6,27λ6-hexathiaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(30),3(42),4,6(41),8(40),9,11(39),13(38),14,16(37),18(36),19,21(35),23,25,28,31,33-octadecaene 2,2,7,7,12,12,17,17,22,22,27,27-dodecaoxide has a molecular weight of 1073.30 g/mol, XLogP of 8.15, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4,19,35,41-tetrapropoxy-2λ6,7λ6,12λ6,17λ6,22λ6,27λ6-hexathiaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(30),3(42),4,6(41),8(40),9,11(39),13(38),14,16(37),18(36),19,21(35),23,25,28,31,33-octadecaene 2,2,7,7,12,12,17,17,22,22,27,27-dodecaoxide is sourced from PubChem (CID 166445907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).