2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-yl)anthracen-9-yl]dibenzofuran;2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-11-yl)anthracen-9-yl]dibenzofuran;2-[10-(12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-14-yl)anthracen-9-yl]dibenzofuran;3-[10-(3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-19-yl)anthracen-9-yl]dibenzofuran

C288H156O6S12 — CID 158894844

IUPAC2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-yl)anthracen-9-yl]dibenzofuran;2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-11-yl)anthracen-9-yl]dibenzofuran;2-[10-(12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-14-yl)anthracen-9-yl]dibenzofuran;3-[10-(3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-19-yl)anthracen-9-yl]dibenzofuran
SMILESc1ccc2c(c1)ccc1c2sc2c(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cc3c4ccccc4sc3c21.c1ccc2c(c1)ccc1c2sc2ccc3sc4cc(-c5c6ccccc6c(-c6ccc7c(c6)oc6ccccc67)c6ccccc56)ccc4c3c21.c1ccc2c(c1)ccc1sc3c(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)c4c(cc3c12)sc1ccccc14.c1ccc2c(c1)ccc1sc3cc4sc5cc(-c6c7ccccc7c(-c7ccc8c(c7)oc7ccccc78)c7ccccc67)ccc5c4cc3c12.c1ccc2cc3c(cc2c1)sc1c3ccc2c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)oc5ccccc56)c5ccccc45)cc3sc21.c1ccc2cc3c(cc2c1)sc1cc(-c2c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc24)c2c4ccccc4sc2c13
InChIInChI=1S/6C48H26OS2/c1-2-12-29-27(11-1)21-23-36-45-47-38(31-14-8-10-20-42(31)50-47)26-39(48(45)51-46(29)36)44-34-17-5-3-15-32(34)43(33-16-4-6-18-35(33)44)28-22-24-41-37(25-28)30-13-7-9-19-40(30)49-41;1-2-12-29-27(11-1)22-24-41-44(29)37-26-42-46(35-18-8-10-20-40(35)50-42)47(48(37)51-41)45-33-16-5-3-14-31(33)43(32-15-4-6-17-34(32)45)28-21-23-39-36(25-28)30-13-7-9-19-38(30)49-39;1-2-12-28-25-42-37(23-27(28)11-1)47-43(50-42)26-38(46-35-18-8-10-20-41(35)51-48(46)47)45-33-16-5-3-14-31(33)44(32-15-4-6-17-34(32)45)29-21-22-40-36(24-29)30-13-7-9-19-39(30)49-40;1-2-10-30-27(9-1)17-22-38-47-42(51-48(30)38)24-23-41-46(47)37-21-19-29(26-43(37)50-41)45-35-14-5-3-12-33(35)44(34-13-4-6-15-36(34)45)28-18-20-32-31-11-7-8-16-39(31)49-40(32)25-28;1-2-10-30-27(9-1)19-22-42-48(30)39-25-38-33-21-18-29(24-43(33)51-44(38)26-45(39)50-42)47-36-14-5-3-12-34(36)46(35-13-4-6-15-37(35)47)28-17-20-32-31-11-7-8-16-40(31)49-41(32)23-28;1-2-10-28-25-44-40(23-27(28)9-1)39-22-21-38-33-20-18-30(26-43(33)50-47(38)48(39)51-44)46-36-14-5-3-12-34(36)45(35-13-4-6-15-37(35)46)29-17-19-32-31-11-7-8-16-41(31)49-42(32)24-29/h6*1-26H
InChIKeyJERZLWULKYQUFV-UHFFFAOYSA-N
MW4097.21 g/mol
LogP90.69
Rot. Bonds12

About 2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-yl)anthracen-9-yl]dibenzofuran;2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-11-yl)anthracen-9-yl]dibenzofuran;2-[10-(12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-14-yl)anthracen-9-yl]dibenzofuran;3-[10-(3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-19-yl)anthracen-9-yl]dibenzofuran

2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-yl)anthracen-9-yl]dibenzofuran;2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-11-yl)anthracen-9-yl]dibenzofuran;2-[10-(12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-14-yl)anthracen-9-yl]dibenzofuran;3-[10-(3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-19-yl)anthracen-9-yl]dibenzofuran (PubChem CID 158894844) has the molecular formula C288H156O6S12 and a molecular weight of 4097.21 g/mol. Its IUPAC name is 2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-yl)anthracen-9-yl]dibenzofuran;2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-11-yl)anthracen-9-yl]dibenzofuran;2-[10-(12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-14-yl)anthracen-9-yl]dibenzofuran;3-[10-(3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-19-yl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-yl)anthracen-9-yl]dibenzofuran;2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-11-yl)anthracen-9-yl]dibenzofuran;2-[10-(12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-14-yl)anthracen-9-yl]dibenzofuran;3-[10-(3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-19-yl)anthracen-9-yl]dibenzofuran
PubChem CID158894844
Molecular FormulaC288H156O6S12
Molecular Weight4097.21 g/mol
Exact Mass4092.86
IUPAC Name2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-yl)anthracen-9-yl]dibenzofuran;2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-11-yl)anthracen-9-yl]dibenzofuran;2-[10-(12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-14-yl)anthracen-9-yl]dibenzofuran;3-[10-(3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-19-yl)anthracen-9-yl]dibenzofuran
SMILESc1ccc2c(c1)ccc1c2sc2c(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cc3c4ccccc4sc3c21.c1ccc2c(c1)ccc1c2sc2ccc3sc4cc(-c5c6ccccc6c(-c6ccc7c(c6)oc6ccccc67)c6ccccc56)ccc4c3c21.c1ccc2c(c1)ccc1sc3c(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)c4c(cc3c12)sc1ccccc14.c1ccc2c(c1)ccc1sc3cc4sc5cc(-c6c7ccccc7c(-c7ccc8c(c7)oc7ccccc78)c7ccccc67)ccc5c4cc3c12.c1ccc2cc3c(cc2c1)sc1c3ccc2c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)oc5ccccc56)c5ccccc45)cc3sc21.c1ccc2cc3c(cc2c1)sc1cc(-c2c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc24)c2c4ccccc4sc2c13
InChIInChI=1S/6C48H26OS2/c1-2-12-29-27(11-1)21-23-36-45-47-38(31-14-8-10-20-42(31)50-47)26-39(48(45)51-46(29)36)44-34-17-5-3-15-32(34)43(33-16-4-6-18-35(33)44)28-22-24-41-37(25-28)30-13-7-9-19-40(30)49-41;1-2-12-29-27(11-1)22-24-41-44(29)37-26-42-46(35-18-8-10-20-40(35)50-42)47(48(37)51-41)45-33-16-5-3-14-31(33)43(32-15-4-6-17-34(32)45)28-21-23-39-36(25-28)30-13-7-9-19-38(30)49-39;1-2-12-28-25-42-37(23-27(28)11-1)47-43(50-42)26-38(46-35-18-8-10-20-41(35)51-48(46)47)45-33-16-5-3-14-31(33)44(32-15-4-6-17-34(32)45)29-21-22-40-36(24-29)30-13-7-9-19-39(30)49-40;1-2-10-30-27(9-1)17-22-38-47-42(51-48(30)38)24-23-41-46(47)37-21-19-29(26-43(37)50-41)45-35-14-5-3-12-33(35)44(34-13-4-6-15-36(34)45)28-18-20-32-31-11-7-8-16-39(31)49-40(32)25-28;1-2-10-30-27(9-1)19-22-42-48(30)39-25-38-33-21-18-29(24-43(33)51-44(38)26-45(39)50-42)47-36-14-5-3-12-34(36)46(35-13-4-6-15-37(35)47)28-17-20-32-31-11-7-8-16-40(31)49-41(32)23-28;1-2-10-28-25-44-40(23-27(28)9-1)39-22-21-38-33-20-18-30(26-43(33)50-47(38)48(39)51-44)46-36-14-5-3-12-34(36)45(35-13-4-6-15-37(35)46)29-17-19-32-31-11-7-8-16-41(31)49-42(32)24-29/h6*1-26H
InChIKeyJERZLWULKYQUFV-UHFFFAOYSA-N
XLogP90.69
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms306
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004097.21
LogP ≤ 590.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-yl)anthracen-9-yl]dibenzofuran;2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-11-yl)anthracen-9-yl]dibenzofuran;2-[10-(12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-14-yl)anthracen-9-yl]dibenzofuran;3-[10-(3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-19-yl)anthracen-9-yl]dibenzofuran with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-yl)anthracen-9-yl]dibenzofuran;2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-11-yl)anthracen-9-yl]dibenzofuran;2-[10-(12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-14-yl)anthracen-9-yl]dibenzofuran;3-[10-(3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-19-yl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-yl)anthracen-9-yl]dibenzofuran;2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-11-yl)anthracen-9-yl]dibenzofuran;2-[10-(12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-14-yl)anthracen-9-yl]dibenzofuran;3-[10-(3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-19-yl)anthracen-9-yl]dibenzofuran (CID 158894844) is 2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-yl)anthracen-9-yl]dibenzofuran;2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-11-yl)anthracen-9-yl]dibenzofuran;2-[10-(12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-14-yl)anthracen-9-yl]dibenzofuran;3-[10-(3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-19-yl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-yl)anthracen-9-yl]dibenzofuran;2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-11-yl)anthracen-9-yl]dibenzofuran;2-[10-(12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-14-yl)anthracen-9-yl]dibenzofuran;3-[10-(3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-19-yl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-yl)anthracen-9-yl]dibenzofuran;2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-11-yl)anthracen-9-yl]dibenzofuran;2-[10-(12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-14-yl)anthracen-9-yl]dibenzofuran;3-[10-(3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-19-yl)anthracen-9-yl]dibenzofuran is c1ccc2c(c1)ccc1c2sc2c(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cc3c4ccccc4sc3c21.c1ccc2c(c1)ccc1c2sc2ccc3sc4cc(-c5c6ccccc6c(-c6ccc7c(c6)oc6ccccc67)c6ccccc56)ccc4c3c21.c1ccc2c(c1)ccc1sc3c(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)c4c(cc3c12)sc1ccccc14.c1ccc2c(c1)ccc1sc3cc4sc5cc(-c6c7ccccc7c(-c7ccc8c(c7)oc7ccccc78)c7ccccc67)ccc5c4cc3c12.c1ccc2cc3c(cc2c1)sc1c3ccc2c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)oc5ccccc56)c5ccccc45)cc3sc21.c1ccc2cc3c(cc2c1)sc1cc(-c2c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc24)c2c4ccccc4sc2c13.
What is the InChIKey of 2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-yl)anthracen-9-yl]dibenzofuran;2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-11-yl)anthracen-9-yl]dibenzofuran;2-[10-(12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-14-yl)anthracen-9-yl]dibenzofuran;3-[10-(3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-19-yl)anthracen-9-yl]dibenzofuran?
The InChIKey is JERZLWULKYQUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/6C48H26OS2/c1-2-12-29-27(11-1)21-23-36-45-47-38(31-14-8-10-20-42(31)50-47)26-39(48(45)51-46(29)36)44-34-17-5-3-15-32(34)43(33-16-4-6-18-35(33)44)28-22-24-41-37(25-28)30-13-7-9-19-40(30)49-41;1-2-12-29-27(11-1)22-24-41-44(29)37-26-42-46(35-18-8-10-20-40(35)50-42)47(48(37)51-41)45-33-16-5-3-14-31(33)43(32-15-4-6-17-34(32)45)28-21-23-39-36(25-28)30-13-7-9-19-38(30)49-39;1-2-12-28-25-42-37(23-27(28)11-1)47-43(50-42)26-38(46-35-18-8-10-20-41(35)51-48(46)47)45-33-16-5-3-14-31(33)44(32-15-4-6-17-34(32)45)29-21-22-40-36(24-29)30-13-7-9-19-39(30)49-40;1-2-10-30-27(9-1)17-22-38-47-42(51-48(30)38)24-23-41-46(47)37-21-19-29(26-43(37)50-41)45-35-14-5-3-12-33(35)44(34-13-4-6-15-36(34)45)28-18-20-32-31-11-7-8-16-39(31)49-40(32)25-28;1-2-10-30-27(9-1)19-22-42-48(30)39-25-38-33-21-18-29(24-43(33)51-44(38)26-45(39)50-42)47-36-14-5-3-12-34(36)46(35-13-4-6-15-37(35)47)28-17-20-32-31-11-7-8-16-40(31)49-41(32)23-28;1-2-10-28-25-44-40(23-27(28)9-1)39-22-21-38-33-20-18-30(26-43(33)50-47(38)48(39)51-44)46-36-14-5-3-12-34(36)45(35-13-4-6-15-37(35)46)29-17-19-32-31-11-7-8-16-41(31)49-42(32)24-29/h6*1-26H.
What are the key properties of 2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-yl)anthracen-9-yl]dibenzofuran;2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-11-yl)anthracen-9-yl]dibenzofuran;2-[10-(12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-14-yl)anthracen-9-yl]dibenzofuran;3-[10-(3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-19-yl)anthracen-9-yl]dibenzofuran?
2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-yl)anthracen-9-yl]dibenzofuran;2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-11-yl)anthracen-9-yl]dibenzofuran;2-[10-(12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-14-yl)anthracen-9-yl]dibenzofuran;3-[10-(3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-19-yl)anthracen-9-yl]dibenzofuran has a molecular weight of 4097.21 g/mol, XLogP of 90.69, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-yl)anthracen-9-yl]dibenzofuran;2-[10-(3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-11-yl)anthracen-9-yl]dibenzofuran;2-[10-(12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-14-yl)anthracen-9-yl]dibenzofuran;3-[10-(3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl)anthracen-9-yl]dibenzofuran;3-[10-(12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-19-yl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 158894844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).