About 20-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-16,16-dimethyl-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;20-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]phenyl]-16,16-dimethyl-10-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,23-decaene;18-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-22,22-dimethyl-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;22,22-dimethyl-18-[4-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-10-thiahexacyclo[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;ethane
20-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-16,16-dimethyl-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;20-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]phenyl]-16,16-dimethyl-10-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,23-decaene;18-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-22,22-dimethyl-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;22,22-dimethyl-18-[4-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-10-thiahexacyclo[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;ethane (PubChem CID 163494515) has the molecular formula C224H168S4
and a molecular weight of 2988.08 g/mol. Its IUPAC name is 20-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-16,16-dimethyl-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;20-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]phenyl]-16,16-dimethyl-10-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,23-decaene;18-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-22,22-dimethyl-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;22,22-dimethyl-18-[4-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-10-thiahexacyclo[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;ethane.
Frequently Asked Questions
What is the IUPAC name of 20-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-16,16-dimethyl-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;20-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]phenyl]-16,16-dimethyl-10-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,23-decaene;18-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-22,22-dimethyl-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;22,22-dimethyl-18-[4-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-10-thiahexacyclo[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;ethane?
The IUPAC name of 20-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-16,16-dimethyl-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;20-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]phenyl]-16,16-dimethyl-10-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,23-decaene;18-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-22,22-dimethyl-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;22,22-dimethyl-18-[4-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-10-thiahexacyclo[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;ethane (CID 163494515) is 20-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-16,16-dimethyl-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;20-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]phenyl]-16,16-dimethyl-10-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,23-decaene;18-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-22,22-dimethyl-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;22,22-dimethyl-18-[4-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-10-thiahexacyclo[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;ethane.
What is the SMILES notation for 20-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-16,16-dimethyl-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;20-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]phenyl]-16,16-dimethyl-10-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,23-decaene;18-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-22,22-dimethyl-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;22,22-dimethyl-18-[4-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-10-thiahexacyclo[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;ethane?
The canonical SMILES for 20-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-16,16-dimethyl-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;20-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]phenyl]-16,16-dimethyl-10-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,23-decaene;18-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-22,22-dimethyl-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;22,22-dimethyl-18-[4-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-10-thiahexacyclo[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;ethane is CC.CC.CC1(C)C2=CC=C(c3ccc(-c4c5ccccc5c(C5=CC=C6C=CCCC6C5)c5ccccc45)cc3)CC2c2cc3cc4c(cc3cc21)sc1ccccc14.CC1(C)c2ccc(-c3ccc(-c4c5c(c(-c6ccc7ccccc7c6)c6ccccc46)=CCCC=5)cc3)cc2-c2cc3cc4sc5ccccc5c4cc3cc21.CC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)CCC=C6)c5ccccc45)cc3)cc2-c2cc3ccc4sc5ccccc5c4c3cc21.CC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(C5=CC=C6C=CC=CC6C5)c5ccccc45)cc3)cc2-c2cc3c(ccc4sc5ccccc5c43)cc21.
What is the InChIKey of 20-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-16,16-dimethyl-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;20-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]phenyl]-16,16-dimethyl-10-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,23-decaene;18-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-22,22-dimethyl-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;22,22-dimethyl-18-[4-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-10-thiahexacyclo[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;ethane?
The InChIKey is CPNUFPFDPUZDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38S.C55H42S.2C55H38S.2C2H6/c1-55(2)49-26-25-37(28-46(49)47-29-40-32-52-48(30-39(40)31-50(47)55)41-13-9-10-18-51(41)56-52)34-19-22-35(23-20-34)53-42-14-5-7-16-44(42)54(45-17-8-6-15-43(45)53)38-24-21-33-11-3-4-12-36(33)27-38;1-55(2)49-26-25-37(28-46(49)47-29-39-30-48-41-13-9-10-18-51(41)56-52(48)32-40(39)31-50(47)55)34-19-22-35(23-20-34)53-42-14-5-7-16-44(42)54(45-17-8-6-15-43(45)53)38-24-21-33-11-3-4-12-36(33)27-38;1-55(2)48-27-25-37(30-46(48)47-32-45-38(31-49(47)55)26-28-51-54(45)44-17-9-10-18-50(44)56-51)34-19-22-35(23-20-34)52-40-13-5-7-15-42(40)53(43-16-8-6-14-41(43)52)39-24-21-33-11-3-4-12-36(33)29-39;1-55(2)48-27-25-37(30-46(48)47-31-38-26-28-51-54(45(38)32-49(47)55)44-17-9-10-18-50(44)56-51)34-19-22-35(23-20-34)52-40-13-5-7-15-42(40)53(43-16-8-6-14-41(43)52)39-24-21-33-11-3-4-12-36(33)29-39;2*1-2/h3-5,7,9-32H,6,8H2,1-2H3;3,5-11,13-26,29-32,36,46H,4,12,27-28H2,1-2H3;3-28,30-32,36H,29H2,1-2H3;3,5-11,13-32H,4,12H2,1-2H3;2*1-2H3.
What are the key properties of 20-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-16,16-dimethyl-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;20-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]phenyl]-16,16-dimethyl-10-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,23-decaene;18-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-22,22-dimethyl-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;22,22-dimethyl-18-[4-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-10-thiahexacyclo[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;ethane?
20-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-16,16-dimethyl-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;20-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]phenyl]-16,16-dimethyl-10-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,23-decaene;18-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-22,22-dimethyl-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;22,22-dimethyl-18-[4-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-10-thiahexacyclo[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;ethane has a molecular weight of 2988.08 g/mol, XLogP of 63.27, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 20-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-16,16-dimethyl-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;20-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]phenyl]-16,16-dimethyl-10-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,23-decaene;18-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-22,22-dimethyl-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;22,22-dimethyl-18-[4-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-10-thiahexacyclo[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;ethane is sourced from PubChem (CID 163494515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).