7-(10-dibenzothiophen-2-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,23-dioxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene

C240H130O10S5 — CID 163515214

IUPAC7-(10-dibenzothiophen-2-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,23-dioxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene
SMILESc1ccc2c(c1)oc1c2ccc2ccc3c4cc(-c5c6ccccc6c(-c6ccc7c(c6)sc6ccccc67)c6ccccc56)ccc4oc3c21.c1ccc2c(c1)oc1c3cc4c(cc3ccc21)oc1ccc(-c2c3ccccc3c(-c3ccc5c(c3)sc3ccccc35)c3ccccc23)cc14.c1ccc2c(c1)oc1cc3c(ccc4c5cc(-c6c7ccccc7c(-c7ccc8c(c7)sc7ccccc78)c7ccccc67)ccc5oc34)cc12.c1ccc2c(c1)oc1cc3ccc4c5cc(-c6c7ccccc7c(-c7ccc8sc9ccccc9c8c7)c7ccccc67)ccc5oc4c3cc12.c1ccc2c(c1)oc1ccc3ccc4c5cc(-c6c7ccccc7c(-c7ccc8sc9ccccc9c8c7)c7ccccc67)ccc5oc4c3c12
InChIInChI=1S/5C48H26O2S/c1-3-12-33-31(10-1)44(32-11-2-4-13-34(32)45(33)29-20-24-43-38(26-29)30-9-6-8-16-42(30)51-43)28-19-22-40-37(25-28)35-21-17-27-18-23-41-47(46(27)48(35)50-40)36-14-5-7-15-39(36)49-41;1-3-13-35-33(11-1)44(34-12-2-4-14-36(34)45(35)29-19-21-32-31-10-6-8-16-42(31)51-43(32)26-29)28-20-24-41-39(25-28)38-23-18-27-17-22-37-30-9-5-7-15-40(30)49-47(37)46(27)48(38)50-41;1-3-13-35-33(11-1)46(34-12-2-4-14-36(34)47(35)29-18-20-32-31-10-6-8-16-44(31)51-45(32)25-29)28-19-22-42-39(23-28)40-26-38-27(24-43(40)49-42)17-21-37-30-9-5-7-15-41(30)50-48(37)38;1-3-13-35-33(11-1)46(34-12-2-4-14-36(34)47(35)29-18-20-32-31-10-6-8-16-44(31)51-45(32)25-29)28-19-22-42-40(24-28)37-21-17-27-23-39-30-9-5-7-15-41(30)49-43(39)26-38(27)48(37)50-42;1-3-13-34-32(11-1)46(33-12-2-4-14-35(33)47(34)29-19-22-45-40(24-29)31-10-6-8-16-44(31)51-45)28-18-21-42-38(23-28)36-20-17-27-25-43-39(26-37(27)48(36)50-42)30-9-5-7-15-41(30)49-43/h5*1-26H
InChIKeyDGCJURBZQBQBOP-UHFFFAOYSA-N
MW3334.00 g/mol
LogP73.23
Rot. Bonds10

About 7-(10-dibenzothiophen-2-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,23-dioxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene

7-(10-dibenzothiophen-2-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,23-dioxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene (PubChem CID 163515214) has the molecular formula C240H130O10S5 and a molecular weight of 3334.00 g/mol. Its IUPAC name is 7-(10-dibenzothiophen-2-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,23-dioxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene.

Molecular Properties

Compound Name7-(10-dibenzothiophen-2-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,23-dioxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene
PubChem CID163515214
Molecular FormulaC240H130O10S5
Molecular Weight3334.00 g/mol
Exact Mass3330.83
IUPAC Name7-(10-dibenzothiophen-2-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,23-dioxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene
SMILESc1ccc2c(c1)oc1c2ccc2ccc3c4cc(-c5c6ccccc6c(-c6ccc7c(c6)sc6ccccc67)c6ccccc56)ccc4oc3c21.c1ccc2c(c1)oc1c3cc4c(cc3ccc21)oc1ccc(-c2c3ccccc3c(-c3ccc5c(c3)sc3ccccc35)c3ccccc23)cc14.c1ccc2c(c1)oc1cc3c(ccc4c5cc(-c6c7ccccc7c(-c7ccc8c(c7)sc7ccccc78)c7ccccc67)ccc5oc34)cc12.c1ccc2c(c1)oc1cc3ccc4c5cc(-c6c7ccccc7c(-c7ccc8sc9ccccc9c8c7)c7ccccc67)ccc5oc4c3cc12.c1ccc2c(c1)oc1ccc3ccc4c5cc(-c6c7ccccc7c(-c7ccc8sc9ccccc9c8c7)c7ccccc67)ccc5oc4c3c12
InChIInChI=1S/5C48H26O2S/c1-3-12-33-31(10-1)44(32-11-2-4-13-34(32)45(33)29-20-24-43-38(26-29)30-9-6-8-16-42(30)51-43)28-19-22-40-37(25-28)35-21-17-27-18-23-41-47(46(27)48(35)50-40)36-14-5-7-15-39(36)49-41;1-3-13-35-33(11-1)44(34-12-2-4-14-36(34)45(35)29-19-21-32-31-10-6-8-16-42(31)51-43(32)26-29)28-20-24-41-39(25-28)38-23-18-27-17-22-37-30-9-5-7-15-40(30)49-47(37)46(27)48(38)50-41;1-3-13-35-33(11-1)46(34-12-2-4-14-36(34)47(35)29-18-20-32-31-10-6-8-16-44(31)51-45(32)25-29)28-19-22-42-39(23-28)40-26-38-27(24-43(40)49-42)17-21-37-30-9-5-7-15-41(30)50-48(37)38;1-3-13-35-33(11-1)46(34-12-2-4-14-36(34)47(35)29-18-20-32-31-10-6-8-16-44(31)51-45(32)25-29)28-19-22-42-40(24-28)37-21-17-27-23-39-30-9-5-7-15-41(30)49-43(39)26-38(27)48(37)50-42;1-3-13-34-32(11-1)46(33-12-2-4-14-35(33)47(34)29-19-22-45-40(24-29)31-10-6-8-16-44(31)51-45)28-18-21-42-38(23-28)36-20-17-27-25-43-39(26-37(27)48(36)50-42)30-9-5-7-15-41(30)49-43/h5*1-26H
InChIKeyDGCJURBZQBQBOP-UHFFFAOYSA-N
XLogP73.23
TPSA131.40 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms255
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003334.00
LogP ≤ 573.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 7-(10-dibenzothiophen-2-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,23-dioxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene with MolForge

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Related Compounds

6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene;18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16(21),17,19-undecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3-oxa-16-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9-oxa-16-thiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene
CID 163607893
2-[10-(9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)anthracen-9-yl]dibenzofuran
CID 163780356
19-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16(21),17,19,22-undecaene
CID 130185559
6-[8-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophen-4-yl]-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;8-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophen-2-yl]-12,16-dioxahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[8-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophen-4-yl]-3,14-dioxahexacyclo[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-undecaene;16-[8-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophen-4-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene;20-[7-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophen-2-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 162143012
18-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-22-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene
CID 152818654
18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;19-(10-dibenzothiophen-3-ylanthracen-9-yl)-23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene
CID 160756784
12-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene
CID 130213701
19-(10-dibenzofuran-2-ylanthracen-9-yl)-9-oxa-23-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene
CID 163606299
6-(10-dibenzofuran-2-ylanthracen-9-yl)-9-oxa-14-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 153314424
2-(10-naphtho[2,3-b][1]benzothiol-3-ylanthracen-9-yl)dibenzofuran
CID 118503667
3-[10-(3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-yl)anthracen-9-yl]dibenzofuran
CID 163733044
19-(10-dibenzothiophen-2-ylanthracen-9-yl)-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene
CID 130190330

Frequently Asked Questions

What is the IUPAC name of 7-(10-dibenzothiophen-2-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,23-dioxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene?
The IUPAC name of 7-(10-dibenzothiophen-2-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,23-dioxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene (CID 163515214) is 7-(10-dibenzothiophen-2-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,23-dioxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene.
What is the SMILES notation for 7-(10-dibenzothiophen-2-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,23-dioxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene?
The canonical SMILES for 7-(10-dibenzothiophen-2-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,23-dioxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene is c1ccc2c(c1)oc1c2ccc2ccc3c4cc(-c5c6ccccc6c(-c6ccc7c(c6)sc6ccccc67)c6ccccc56)ccc4oc3c21.c1ccc2c(c1)oc1c3cc4c(cc3ccc21)oc1ccc(-c2c3ccccc3c(-c3ccc5c(c3)sc3ccccc35)c3ccccc23)cc14.c1ccc2c(c1)oc1cc3c(ccc4c5cc(-c6c7ccccc7c(-c7ccc8c(c7)sc7ccccc78)c7ccccc67)ccc5oc34)cc12.c1ccc2c(c1)oc1cc3ccc4c5cc(-c6c7ccccc7c(-c7ccc8sc9ccccc9c8c7)c7ccccc67)ccc5oc4c3cc12.c1ccc2c(c1)oc1ccc3ccc4c5cc(-c6c7ccccc7c(-c7ccc8sc9ccccc9c8c7)c7ccccc67)ccc5oc4c3c12.
What is the InChIKey of 7-(10-dibenzothiophen-2-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,23-dioxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene?
The InChIKey is DGCJURBZQBQBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/5C48H26O2S/c1-3-12-33-31(10-1)44(32-11-2-4-13-34(32)45(33)29-20-24-43-38(26-29)30-9-6-8-16-42(30)51-43)28-19-22-40-37(25-28)35-21-17-27-18-23-41-47(46(27)48(35)50-40)36-14-5-7-15-39(36)49-41;1-3-13-35-33(11-1)44(34-12-2-4-14-36(34)45(35)29-19-21-32-31-10-6-8-16-42(31)51-43(32)26-29)28-20-24-41-39(25-28)38-23-18-27-17-22-37-30-9-5-7-15-40(30)49-47(37)46(27)48(38)50-41;1-3-13-35-33(11-1)46(34-12-2-4-14-36(34)47(35)29-18-20-32-31-10-6-8-16-44(31)51-45(32)25-29)28-19-22-42-39(23-28)40-26-38-27(24-43(40)49-42)17-21-37-30-9-5-7-15-41(30)50-48(37)38;1-3-13-35-33(11-1)46(34-12-2-4-14-36(34)47(35)29-18-20-32-31-10-6-8-16-44(31)51-45(32)25-29)28-19-22-42-40(24-28)37-21-17-27-23-39-30-9-5-7-15-41(30)49-43(39)26-38(27)48(37)50-42;1-3-13-34-32(11-1)46(33-12-2-4-14-35(33)47(34)29-19-22-45-40(24-29)31-10-6-8-16-44(31)51-45)28-18-21-42-38(23-28)36-20-17-27-25-43-39(26-37(27)48(36)50-42)30-9-5-7-15-41(30)49-43/h5*1-26H.
What are the key properties of 7-(10-dibenzothiophen-2-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,23-dioxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene?
7-(10-dibenzothiophen-2-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,23-dioxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene has a molecular weight of 3334.00 g/mol, XLogP of 73.23, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(10-dibenzothiophen-2-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,23-dioxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene is sourced from PubChem (CID 163515214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).