About 20-[10-(6-cyclohexa-1,3-dien-1-yl-1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-16-oxa-9-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;6-[10-(6-cyclohexa-1,3-dien-1-yl-1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,6,8,11,13,15(23),17,19,21-decaene;18-[10-(6-phenyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-22-oxa-9-thiahexacyclo[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-undecaene;6-[10-(6-phenylnaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene
20-[10-(6-cyclohexa-1,3-dien-1-yl-1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-16-oxa-9-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;6-[10-(6-cyclohexa-1,3-dien-1-yl-1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,6,8,11,13,15(23),17,19,21-decaene;18-[10-(6-phenyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-22-oxa-9-thiahexacyclo[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-undecaene;6-[10-(6-phenylnaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene (PubChem CID 163472423) has the molecular formula C208H136O4S4
and a molecular weight of 2827.64 g/mol. Its IUPAC name is 20-[10-(6-cyclohexa-1,3-dien-1-yl-1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-16-oxa-9-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;6-[10-(6-cyclohexa-1,3-dien-1-yl-1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,6,8,11,13,15(23),17,19,21-decaene;18-[10-(6-phenyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-22-oxa-9-thiahexacyclo[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-undecaene;6-[10-(6-phenylnaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene.
Frequently Asked Questions
What is the IUPAC name of 20-[10-(6-cyclohexa-1,3-dien-1-yl-1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-16-oxa-9-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;6-[10-(6-cyclohexa-1,3-dien-1-yl-1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,6,8,11,13,15(23),17,19,21-decaene;18-[10-(6-phenyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-22-oxa-9-thiahexacyclo[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-undecaene;6-[10-(6-phenylnaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene?
The IUPAC name of 20-[10-(6-cyclohexa-1,3-dien-1-yl-1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-16-oxa-9-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;6-[10-(6-cyclohexa-1,3-dien-1-yl-1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,6,8,11,13,15(23),17,19,21-decaene;18-[10-(6-phenyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-22-oxa-9-thiahexacyclo[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-undecaene;6-[10-(6-phenylnaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene (CID 163472423) is 20-[10-(6-cyclohexa-1,3-dien-1-yl-1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-16-oxa-9-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;6-[10-(6-cyclohexa-1,3-dien-1-yl-1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,6,8,11,13,15(23),17,19,21-decaene;18-[10-(6-phenyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-22-oxa-9-thiahexacyclo[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-undecaene;6-[10-(6-phenylnaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene.
What is the SMILES notation for 20-[10-(6-cyclohexa-1,3-dien-1-yl-1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-16-oxa-9-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;6-[10-(6-cyclohexa-1,3-dien-1-yl-1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,6,8,11,13,15(23),17,19,21-decaene;18-[10-(6-phenyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-22-oxa-9-thiahexacyclo[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-undecaene;6-[10-(6-phenylnaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene?
The canonical SMILES for 20-[10-(6-cyclohexa-1,3-dien-1-yl-1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-16-oxa-9-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;6-[10-(6-cyclohexa-1,3-dien-1-yl-1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,6,8,11,13,15(23),17,19,21-decaene;18-[10-(6-phenyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-22-oxa-9-thiahexacyclo[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-undecaene;6-[10-(6-phenylnaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene is C1=C(c2ccccc2)CCc2cc(-c3c4ccccc4c(-c4ccc5oc6cc7c(ccc8sc9ccccc9c87)cc6c5c4)c4ccccc34)ccc21.C1=CCCC(C2=CC3=CC=C(c4c5ccccc5c(-c5ccc6oc7cc8ccc9sc%10ccccc%10c9c8cc7c6c5)c5ccccc45)CC3C=C2)=C1.C1=CCCC(C2=CC3=CC=C(c4c5ccccc5c(C5=CC=C6Oc7cc8cc9sc%10ccccc%10c9cc8cc7C6C5)c5ccccc45)CC3CC2)=C1.C1=c2c(-c3ccc4cc(-c5ccccc5)ccc4c3)c3ccccc3c(-c3ccc4oc5cc6cc7c(cc6cc5c4c3)sc3ccccc37)c2=CCC1.
What is the InChIKey of 20-[10-(6-cyclohexa-1,3-dien-1-yl-1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-16-oxa-9-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;6-[10-(6-cyclohexa-1,3-dien-1-yl-1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,6,8,11,13,15(23),17,19,21-decaene;18-[10-(6-phenyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-22-oxa-9-thiahexacyclo[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-undecaene;6-[10-(6-phenylnaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene?
The InChIKey is BXPXDHKAOZQTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32OS.C52H38OS.C52H34OS.C52H32OS/c1-2-10-31(11-3-1)32-18-19-34-25-35(21-20-33(34)24-32)51-40-13-4-6-15-42(40)52(43-16-7-5-14-41(43)51)36-22-23-47-44(26-36)45-27-38-30-50-46(28-37(38)29-48(45)53-47)39-12-8-9-17-49(39)54-50;1-2-10-31(11-3-1)32-18-19-34-25-35(21-20-33(34)24-32)51-40-13-4-6-15-42(40)52(43-16-7-5-14-41(43)51)36-22-23-47-44(26-36)45-27-37-28-46-39-12-8-9-17-49(39)54-50(46)30-38(37)29-48(45)53-47;1-2-10-31(11-3-1)32-18-19-34-27-36(21-20-33(34)26-32)50-38-12-4-6-14-40(38)51(41-15-7-5-13-39(41)50)37-22-24-46-44(28-37)45-30-43-35(29-47(45)53-46)23-25-49-52(43)42-16-8-9-17-48(42)54-49;1-2-10-31(11-3-1)32-18-19-34-27-36(21-20-33(34)26-32)50-38-12-4-6-14-40(38)51(41-15-7-5-13-39(41)50)37-22-24-46-44(29-37)45-28-35-23-25-49-52(43(35)30-47(45)53-46)42-16-8-9-17-48(42)54-49/h1-4,6,8-30H,5,7H2;1-2,4-10,12-17,20-24,27-30,34,44H,3,11,18-19,25-26H2;1-2,4-10,12-26,28-30,34H,3,11,27H2;1-17,20-30H,18-19H2.
What are the key properties of 20-[10-(6-cyclohexa-1,3-dien-1-yl-1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-16-oxa-9-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;6-[10-(6-cyclohexa-1,3-dien-1-yl-1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,6,8,11,13,15(23),17,19,21-decaene;18-[10-(6-phenyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-22-oxa-9-thiahexacyclo[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-undecaene;6-[10-(6-phenylnaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene?
20-[10-(6-cyclohexa-1,3-dien-1-yl-1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-16-oxa-9-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;6-[10-(6-cyclohexa-1,3-dien-1-yl-1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,6,8,11,13,15(23),17,19,21-decaene;18-[10-(6-phenyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-22-oxa-9-thiahexacyclo[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-undecaene;6-[10-(6-phenylnaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene has a molecular weight of 2827.64 g/mol, XLogP of 58.87, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 20-[10-(6-cyclohexa-1,3-dien-1-yl-1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-16-oxa-9-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;6-[10-(6-cyclohexa-1,3-dien-1-yl-1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,6,8,11,13,15(23),17,19,21-decaene;18-[10-(6-phenyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-22-oxa-9-thiahexacyclo[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-undecaene;6-[10-(6-phenylnaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene is sourced from PubChem (CID 163472423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).