bis(6,18-bis(6-methylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);bis(6,18-bis(7-methyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);6,18-bis(4-propylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(6-propylnonyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(5-propyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene

C288H352S14 — CID 158572664

IUPACbis(6,18-bis(6-methylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);bis(6,18-bis(7-methyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);6,18-bis(4-propylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(6-propylnonyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(5-propyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
SMILESCC(C)CCCCCCc1ccc2c(c1)sc1c2ccc2c1ccc1c3ccc(CCCCCCC(C)C)cc3sc12.CC(C)CCCCCCc1ccc2c(c1)sc1c2ccc2c1ccc1c3ccc(CCCCCCC(C)C)cc3sc12.CC(C)CCCCCc1ccc2c(c1)sc1c2ccc2c1ccc1c3ccc(CCCCCC(C)C)cc3sc12.CC(C)CCCCCc1ccc2c(c1)sc1c2ccc2c1ccc1c3ccc(CCCCCC(C)C)cc3sc12.CCCC(CCC)CCCCCc1ccc2c(c1)sc1c2ccc2c1ccc1c3ccc(CCCCCC(CCC)CCC)cc3sc12.CCCC(CCC)CCCCc1ccc2c(c1)sc1c2ccc2c1ccc1c3ccc(CCCCC(CCC)CCC)cc3sc12.CCCC(CCC)CCCc1ccc2c(c1)sc1c2ccc2c1ccc1c3ccc(CCCC(CCC)CCC)cc3sc12
InChIInChI=1S/C46H60S2.C44H56S2.C42H52S2.2C40H48S2.2C38H44S2/c1-5-15-33(16-6-2)19-11-9-13-21-35-23-25-37-39-27-29-42-41(45(39)47-43(37)31-35)30-28-40-38-26-24-36(32-44(38)48-46(40)42)22-14-10-12-20-34(17-7-3)18-8-4;1-5-13-31(14-6-2)17-9-11-19-33-21-23-35-37-25-27-40-39(43(37)45-41(35)29-33)28-26-38-36-24-22-34(30-42(36)46-44(38)40)20-12-10-18-32(15-7-3)16-8-4;1-5-11-29(12-6-2)15-9-17-31-19-21-33-35-23-25-38-37(41(35)43-39(33)27-31)26-24-36-34-22-20-32(28-40(34)44-42(36)38)18-10-16-30(13-7-3)14-8-4;2*1-27(2)13-9-5-7-11-15-29-17-19-31-33-21-23-36-35(39(33)41-37(31)25-29)24-22-34-32-20-18-30(26-38(32)42-40(34)36)16-12-8-6-10-14-28(3)4;2*1-25(2)11-7-5-9-13-27-15-17-29-31-19-21-34-33(37(31)39-35(29)23-27)22-20-32-30-18-16-28(24-36(30)40-38(32)34)14-10-6-8-12-26(3)4/h23-34H,5-22H2,1-4H3;21-32H,5-20H2,1-4H3;19-30H,5-18H2,1-4H3;2*17-28H,5-16H2,1-4H3;2*15-26H,5-14H2,1-4H3
InChIKeyHSGWJJNMNVHVCL-UHFFFAOYSA-N
MW4262.92 g/mol
LogP100.24
Rot. Bonds106

About bis(6,18-bis(6-methylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);bis(6,18-bis(7-methyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);6,18-bis(4-propylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(6-propylnonyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(5-propyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene

bis(6,18-bis(6-methylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);bis(6,18-bis(7-methyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);6,18-bis(4-propylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(6-propylnonyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(5-propyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene (PubChem CID 158572664) has the molecular formula C288H352S14 and a molecular weight of 4262.92 g/mol. Its IUPAC name is bis(6,18-bis(6-methylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);bis(6,18-bis(7-methyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);6,18-bis(4-propylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(6-propylnonyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(5-propyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene.

Molecular Properties

Compound Namebis(6,18-bis(6-methylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);bis(6,18-bis(7-methyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);6,18-bis(4-propylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(6-propylnonyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(5-propyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
PubChem CID158572664
Molecular FormulaC288H352S14
Molecular Weight4262.92 g/mol
Exact Mass4258.36
IUPAC Namebis(6,18-bis(6-methylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);bis(6,18-bis(7-methyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);6,18-bis(4-propylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(6-propylnonyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(5-propyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
SMILESCC(C)CCCCCCc1ccc2c(c1)sc1c2ccc2c1ccc1c3ccc(CCCCCCC(C)C)cc3sc12.CC(C)CCCCCCc1ccc2c(c1)sc1c2ccc2c1ccc1c3ccc(CCCCCCC(C)C)cc3sc12.CC(C)CCCCCc1ccc2c(c1)sc1c2ccc2c1ccc1c3ccc(CCCCCC(C)C)cc3sc12.CC(C)CCCCCc1ccc2c(c1)sc1c2ccc2c1ccc1c3ccc(CCCCCC(C)C)cc3sc12.CCCC(CCC)CCCCCc1ccc2c(c1)sc1c2ccc2c1ccc1c3ccc(CCCCCC(CCC)CCC)cc3sc12.CCCC(CCC)CCCCc1ccc2c(c1)sc1c2ccc2c1ccc1c3ccc(CCCCC(CCC)CCC)cc3sc12.CCCC(CCC)CCCc1ccc2c(c1)sc1c2ccc2c1ccc1c3ccc(CCCC(CCC)CCC)cc3sc12
InChIInChI=1S/C46H60S2.C44H56S2.C42H52S2.2C40H48S2.2C38H44S2/c1-5-15-33(16-6-2)19-11-9-13-21-35-23-25-37-39-27-29-42-41(45(39)47-43(37)31-35)30-28-40-38-26-24-36(32-44(38)48-46(40)42)22-14-10-12-20-34(17-7-3)18-8-4;1-5-13-31(14-6-2)17-9-11-19-33-21-23-35-37-25-27-40-39(43(37)45-41(35)29-33)28-26-38-36-24-22-34(30-42(36)46-44(38)40)20-12-10-18-32(15-7-3)16-8-4;1-5-11-29(12-6-2)15-9-17-31-19-21-33-35-23-25-38-37(41(35)43-39(33)27-31)26-24-36-34-22-20-32(28-40(34)44-42(36)38)18-10-16-30(13-7-3)14-8-4;2*1-27(2)13-9-5-7-11-15-29-17-19-31-33-21-23-36-35(39(33)41-37(31)25-29)24-22-34-32-20-18-30(26-38(32)42-40(34)36)16-12-8-6-10-14-28(3)4;2*1-25(2)11-7-5-9-13-27-15-17-29-31-19-21-34-33(37(31)39-35(29)23-27)22-20-32-30-18-16-28(24-36(30)40-38(32)34)14-10-6-8-12-26(3)4/h23-34H,5-22H2,1-4H3;21-32H,5-20H2,1-4H3;19-30H,5-18H2,1-4H3;2*17-28H,5-16H2,1-4H3;2*15-26H,5-14H2,1-4H3
InChIKeyHSGWJJNMNVHVCL-UHFFFAOYSA-N
XLogP100.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds106
Heavy Atoms302
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004262.92
LogP ≤ 5100.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze bis(6,18-bis(6-methylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);bis(6,18-bis(7-methyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);6,18-bis(4-propylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(6-propylnonyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(5-propyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene with MolForge

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Related Compounds

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CID 132570503
2-tridecyl-[1]benzothiolo[3,2-b][1]benzothiole
CID 67980792
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CID 158864216
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chloro-[10-(7-hexyl-[1]benzothiolo[3,2-b][1]benzothiol-2-yl)decyl]-dimethyl-λ4-sulfane
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9,23-didecyl-16-thiaheptacyclo[15.12.0.02,15.05,14.06,11.018,27.021,26]nonacosa-1(17),2(15),3,5(14),6(11),7,9,12,18(27),19,21(26),22,24,28-tetradecaene
CID 158576615
6,17-dihexyl-3,11,12,20-tetrathiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,14(19),15,17-octaene
CID 88849765
9,23-dibutyl-5,19-dithiaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6(11),7,9,13,16,18(26),20(25),21,23,27-tridecaene
CID 58426688
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CID 90049058
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CID 101245223

Frequently Asked Questions

What is the IUPAC name of bis(6,18-bis(6-methylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);bis(6,18-bis(7-methyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);6,18-bis(4-propylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(6-propylnonyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(5-propyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene?
The IUPAC name of bis(6,18-bis(6-methylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);bis(6,18-bis(7-methyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);6,18-bis(4-propylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(6-propylnonyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(5-propyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene (CID 158572664) is bis(6,18-bis(6-methylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);bis(6,18-bis(7-methyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);6,18-bis(4-propylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(6-propylnonyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(5-propyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene.
What is the SMILES notation for bis(6,18-bis(6-methylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);bis(6,18-bis(7-methyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);6,18-bis(4-propylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(6-propylnonyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(5-propyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene?
The canonical SMILES for bis(6,18-bis(6-methylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);bis(6,18-bis(7-methyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);6,18-bis(4-propylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(6-propylnonyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(5-propyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene is CC(C)CCCCCCc1ccc2c(c1)sc1c2ccc2c1ccc1c3ccc(CCCCCCC(C)C)cc3sc12.CC(C)CCCCCCc1ccc2c(c1)sc1c2ccc2c1ccc1c3ccc(CCCCCCC(C)C)cc3sc12.CC(C)CCCCCc1ccc2c(c1)sc1c2ccc2c1ccc1c3ccc(CCCCCC(C)C)cc3sc12.CC(C)CCCCCc1ccc2c(c1)sc1c2ccc2c1ccc1c3ccc(CCCCCC(C)C)cc3sc12.CCCC(CCC)CCCCCc1ccc2c(c1)sc1c2ccc2c1ccc1c3ccc(CCCCCC(CCC)CCC)cc3sc12.CCCC(CCC)CCCCc1ccc2c(c1)sc1c2ccc2c1ccc1c3ccc(CCCCC(CCC)CCC)cc3sc12.CCCC(CCC)CCCc1ccc2c(c1)sc1c2ccc2c1ccc1c3ccc(CCCC(CCC)CCC)cc3sc12.
What is the InChIKey of bis(6,18-bis(6-methylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);bis(6,18-bis(7-methyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);6,18-bis(4-propylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(6-propylnonyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(5-propyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene?
The InChIKey is HSGWJJNMNVHVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H60S2.C44H56S2.C42H52S2.2C40H48S2.2C38H44S2/c1-5-15-33(16-6-2)19-11-9-13-21-35-23-25-37-39-27-29-42-41(45(39)47-43(37)31-35)30-28-40-38-26-24-36(32-44(38)48-46(40)42)22-14-10-12-20-34(17-7-3)18-8-4;1-5-13-31(14-6-2)17-9-11-19-33-21-23-35-37-25-27-40-39(43(37)45-41(35)29-33)28-26-38-36-24-22-34(30-42(36)46-44(38)40)20-12-10-18-32(15-7-3)16-8-4;1-5-11-29(12-6-2)15-9-17-31-19-21-33-35-23-25-38-37(41(35)43-39(33)27-31)26-24-36-34-22-20-32(28-40(34)44-42(36)38)18-10-16-30(13-7-3)14-8-4;2*1-27(2)13-9-5-7-11-15-29-17-19-31-33-21-23-36-35(39(33)41-37(31)25-29)24-22-34-32-20-18-30(26-38(32)42-40(34)36)16-12-8-6-10-14-28(3)4;2*1-25(2)11-7-5-9-13-27-15-17-29-31-19-21-34-33(37(31)39-35(29)23-27)22-20-32-30-18-16-28(24-36(30)40-38(32)34)14-10-6-8-12-26(3)4/h23-34H,5-22H2,1-4H3;21-32H,5-20H2,1-4H3;19-30H,5-18H2,1-4H3;2*17-28H,5-16H2,1-4H3;2*15-26H,5-14H2,1-4H3.
What are the key properties of bis(6,18-bis(6-methylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);bis(6,18-bis(7-methyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);6,18-bis(4-propylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(6-propylnonyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(5-propyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene?
bis(6,18-bis(6-methylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);bis(6,18-bis(7-methyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);6,18-bis(4-propylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(6-propylnonyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(5-propyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene has a molecular weight of 4262.92 g/mol, XLogP of 100.24, 106 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6,18-bis(6-methylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);bis(6,18-bis(7-methyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene);6,18-bis(4-propylheptyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(6-propylnonyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene;6,18-bis(5-propyloctyl)-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene is sourced from PubChem (CID 158572664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).