6-(10-anthracen-9-ylanthracen-9-yl)-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-(10-anthracen-9-ylanthracen-9-yl)phenanthro[1,2-b][1]benzothiole;6-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[3-(3,5-dimethylphenyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;6-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;8-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzothiole

C434H254F6O7S2 — CID 158046776

IUPAC6-(10-anthracen-9-ylanthracen-9-yl)-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-(10-anthracen-9-ylanthracen-9-yl)phenanthro[1,2-b][1]benzothiole;6-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[3-(3,5-dimethylphenyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;6-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;8-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzothiole
SMILESCc1cc(C)cc(-c2ccc3c(-c4c5ccccc5c(-c5ccc6c(c5)oc5c6ccc6c7ccccc7ccc65)c5ccccc45)c4ccccc4cc3c2)c1.FC(F)(F)c1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5c(c4)oc4c5ccc5c6ccccc6ccc54)c4ccccc34)c3ccccc23)cc1.FC(F)(F)c1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5sc6c(ccc7c8ccccc8ccc76)c5c4)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc6c7ccccc7ccc6c45)c4ccccc34)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc6c7ccccc7ccc6c45)c4ccccc34)c3ccccc3cc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc5c(c4)sc4c5ccc5c6ccccc6ccc54)c4ccccc34)c3ccccc3cc2c1.c1ccc2c(c1)ccc1c2ccc2oc3cc(-c4c5ccccc5c(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)c5ccccc45)ccc3c21.c1ccc2cc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc6c(c5)oc5ccc7c8ccccc8ccc7c56)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C60H34O2.C58H34O.C56H36O.C55H31F3O.C55H31F3S.C54H32O.C48H28O.C48H28S/c1-2-14-38-35(13-1)25-28-49-39(38)30-32-54-58(49)50-29-26-37(34-55(50)62-54)57-43-18-5-9-22-47(43)60(48-23-10-6-19-44(48)57)59-45-20-7-3-16-41(45)56(42-17-4-8-21-46(42)59)36-27-31-53-51(33-36)40-15-11-12-24-52(40)61-53;1-2-15-37-33-38(26-25-35(37)13-1)54-42-17-5-9-21-46(42)57(47-22-10-6-18-43(47)54)58-48-23-11-7-19-44(48)55(45-20-8-12-24-49(45)58)39-28-30-51-53(34-39)59-52-32-31-41-40-16-4-3-14-36(40)27-29-50(41)56(51)52;1-33-27-34(2)29-39(28-33)36-20-22-43-40(30-36)31-37-12-4-6-14-42(37)54(43)55-48-17-9-7-15-46(48)53(47-16-8-10-18-49(47)55)38-21-23-45-51-26-25-44-41-13-5-3-11-35(41)19-24-50(44)56(51)57-52(45)32-38;56-55(57,58)35-25-21-33(22-26-35)50-39-13-3-7-17-43(39)52(44-18-8-4-14-40(44)50)53-45-19-9-5-15-41(45)51(42-16-6-10-20-46(42)53)34-24-27-38-48-30-29-37-36-12-2-1-11-32(36)23-28-47(37)54(48)59-49(38)31-34;56-55(57,58)35-25-21-33(22-26-35)50-38-13-3-7-17-42(38)52(43-18-8-4-14-39(43)50)53-44-19-9-5-15-40(44)51(41-16-6-10-20-45(41)53)34-24-30-49-48(31-34)47-29-28-37-36-12-2-1-11-32(36)23-27-46(37)54(47)59-49;1-2-15-34(16-3-1)50-38-18-6-10-22-42(38)53(43-23-11-7-19-39(43)50)54-44-24-12-8-20-40(44)51(41-21-9-13-25-45(41)54)35-27-29-47-49(32-35)55-48-31-30-37-36-17-5-4-14-33(36)26-28-46(37)52(47)48;1-4-14-33-29(11-1)21-23-41-36(33)25-26-43-46(41)42-24-22-32(28-44(42)49-43)45-37-17-7-9-19-39(37)48(40-20-10-8-18-38(40)45)47-34-15-5-2-12-30(34)27-31-13-3-6-16-35(31)47;1-4-14-33-29(11-1)21-24-42-36(33)25-26-43-37-23-22-32(28-44(37)49-48(42)43)45-38-17-7-9-19-40(38)47(41-20-10-8-18-39(41)45)46-34-15-5-2-12-30(34)27-31-13-3-6-16-35(31)46/h1-34H;1-34H;3-32H,1-2H3;2*1-31H;1-32H;2*1-28H
InChIKeyFIZWVJAYKZLBIW-UHFFFAOYSA-N
MW5758.92 g/mol
LogP127.36
Rot. Bonds22

About 6-(10-anthracen-9-ylanthracen-9-yl)-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-(10-anthracen-9-ylanthracen-9-yl)phenanthro[1,2-b][1]benzothiole;6-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[3-(3,5-dimethylphenyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;6-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;8-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzothiole

6-(10-anthracen-9-ylanthracen-9-yl)-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-(10-anthracen-9-ylanthracen-9-yl)phenanthro[1,2-b][1]benzothiole;6-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[3-(3,5-dimethylphenyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;6-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;8-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzothiole (PubChem CID 158046776) has the molecular formula C434H254F6O7S2 and a molecular weight of 5758.92 g/mol. Its IUPAC name is 6-(10-anthracen-9-ylanthracen-9-yl)-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-(10-anthracen-9-ylanthracen-9-yl)phenanthro[1,2-b][1]benzothiole;6-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[3-(3,5-dimethylphenyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;6-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;8-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzothiole.

Molecular Properties

Compound Name6-(10-anthracen-9-ylanthracen-9-yl)-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-(10-anthracen-9-ylanthracen-9-yl)phenanthro[1,2-b][1]benzothiole;6-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[3-(3,5-dimethylphenyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;6-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;8-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzothiole
PubChem CID158046776
Molecular FormulaC434H254F6O7S2
Molecular Weight5758.92 g/mol
Exact Mass5753.89
IUPAC Name6-(10-anthracen-9-ylanthracen-9-yl)-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-(10-anthracen-9-ylanthracen-9-yl)phenanthro[1,2-b][1]benzothiole;6-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[3-(3,5-dimethylphenyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;6-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;8-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzothiole
SMILESCc1cc(C)cc(-c2ccc3c(-c4c5ccccc5c(-c5ccc6c(c5)oc5c6ccc6c7ccccc7ccc65)c5ccccc45)c4ccccc4cc3c2)c1.FC(F)(F)c1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5c(c4)oc4c5ccc5c6ccccc6ccc54)c4ccccc34)c3ccccc23)cc1.FC(F)(F)c1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5sc6c(ccc7c8ccccc8ccc76)c5c4)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc6c7ccccc7ccc6c45)c4ccccc34)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc6c7ccccc7ccc6c45)c4ccccc34)c3ccccc3cc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc5c(c4)sc4c5ccc5c6ccccc6ccc54)c4ccccc34)c3ccccc3cc2c1.c1ccc2c(c1)ccc1c2ccc2oc3cc(-c4c5ccccc5c(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)c5ccccc45)ccc3c21.c1ccc2cc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc6c(c5)oc5ccc7c8ccccc8ccc7c56)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C60H34O2.C58H34O.C56H36O.C55H31F3O.C55H31F3S.C54H32O.C48H28O.C48H28S/c1-2-14-38-35(13-1)25-28-49-39(38)30-32-54-58(49)50-29-26-37(34-55(50)62-54)57-43-18-5-9-22-47(43)60(48-23-10-6-19-44(48)57)59-45-20-7-3-16-41(45)56(42-17-4-8-21-46(42)59)36-27-31-53-51(33-36)40-15-11-12-24-52(40)61-53;1-2-15-37-33-38(26-25-35(37)13-1)54-42-17-5-9-21-46(42)57(47-22-10-6-18-43(47)54)58-48-23-11-7-19-44(48)55(45-20-8-12-24-49(45)58)39-28-30-51-53(34-39)59-52-32-31-41-40-16-4-3-14-36(40)27-29-50(41)56(51)52;1-33-27-34(2)29-39(28-33)36-20-22-43-40(30-36)31-37-12-4-6-14-42(37)54(43)55-48-17-9-7-15-46(48)53(47-16-8-10-18-49(47)55)38-21-23-45-51-26-25-44-41-13-5-3-11-35(41)19-24-50(44)56(51)57-52(45)32-38;56-55(57,58)35-25-21-33(22-26-35)50-39-13-3-7-17-43(39)52(44-18-8-4-14-40(44)50)53-45-19-9-5-15-41(45)51(42-16-6-10-20-46(42)53)34-24-27-38-48-30-29-37-36-12-2-1-11-32(36)23-28-47(37)54(48)59-49(38)31-34;56-55(57,58)35-25-21-33(22-26-35)50-38-13-3-7-17-42(38)52(43-18-8-4-14-39(43)50)53-44-19-9-5-15-40(44)51(41-16-6-10-20-45(41)53)34-24-30-49-48(31-34)47-29-28-37-36-12-2-1-11-32(36)23-27-46(37)54(47)59-49;1-2-15-34(16-3-1)50-38-18-6-10-22-42(38)53(43-23-11-7-19-39(43)50)54-44-24-12-8-20-40(44)51(41-21-9-13-25-45(41)54)35-27-29-47-49(32-35)55-48-31-30-37-36-17-5-4-14-33(36)26-28-46(37)52(47)48;1-4-14-33-29(11-1)21-23-41-36(33)25-26-43-46(41)42-24-22-32(28-44(42)49-43)45-37-17-7-9-19-39(37)48(40-20-10-8-18-38(40)45)47-34-15-5-2-12-30(34)27-31-13-3-6-16-35(31)47;1-4-14-33-29(11-1)21-24-42-36(33)25-26-43-37-23-22-32(28-44(37)49-48(42)43)45-38-17-7-9-19-40(38)47(41-20-10-8-18-39(41)45)46-34-15-5-2-12-30(34)27-31-13-3-6-16-35(31)46/h1-34H;1-34H;3-32H,1-2H3;2*1-31H;1-32H;2*1-28H
InChIKeyFIZWVJAYKZLBIW-UHFFFAOYSA-N
XLogP127.36
TPSA91.98 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms449
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005758.92
LogP ≤ 5127.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(10-anthracen-9-ylanthracen-9-yl)-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-(10-anthracen-9-ylanthracen-9-yl)phenanthro[1,2-b][1]benzothiole;6-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[3-(3,5-dimethylphenyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;6-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;8-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzothiole with MolForge

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What is the IUPAC name of 6-(10-anthracen-9-ylanthracen-9-yl)-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-(10-anthracen-9-ylanthracen-9-yl)phenanthro[1,2-b][1]benzothiole;6-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[3-(3,5-dimethylphenyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;6-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;8-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzothiole?
The IUPAC name of 6-(10-anthracen-9-ylanthracen-9-yl)-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-(10-anthracen-9-ylanthracen-9-yl)phenanthro[1,2-b][1]benzothiole;6-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[3-(3,5-dimethylphenyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;6-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;8-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzothiole (CID 158046776) is 6-(10-anthracen-9-ylanthracen-9-yl)-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-(10-anthracen-9-ylanthracen-9-yl)phenanthro[1,2-b][1]benzothiole;6-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[3-(3,5-dimethylphenyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;6-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;8-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzothiole.
What is the SMILES notation for 6-(10-anthracen-9-ylanthracen-9-yl)-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-(10-anthracen-9-ylanthracen-9-yl)phenanthro[1,2-b][1]benzothiole;6-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[3-(3,5-dimethylphenyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;6-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;8-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzothiole?
The canonical SMILES for 6-(10-anthracen-9-ylanthracen-9-yl)-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-(10-anthracen-9-ylanthracen-9-yl)phenanthro[1,2-b][1]benzothiole;6-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[3-(3,5-dimethylphenyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;6-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;8-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzothiole is Cc1cc(C)cc(-c2ccc3c(-c4c5ccccc5c(-c5ccc6c(c5)oc5c6ccc6c7ccccc7ccc65)c5ccccc45)c4ccccc4cc3c2)c1.FC(F)(F)c1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5c(c4)oc4c5ccc5c6ccccc6ccc54)c4ccccc34)c3ccccc23)cc1.FC(F)(F)c1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5sc6c(ccc7c8ccccc8ccc76)c5c4)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc6c7ccccc7ccc6c45)c4ccccc34)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc6c7ccccc7ccc6c45)c4ccccc34)c3ccccc3cc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc5c(c4)sc4c5ccc5c6ccccc6ccc54)c4ccccc34)c3ccccc3cc2c1.c1ccc2c(c1)ccc1c2ccc2oc3cc(-c4c5ccccc5c(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)c5ccccc45)ccc3c21.c1ccc2cc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc6c(c5)oc5ccc7c8ccccc8ccc7c56)c5ccccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 6-(10-anthracen-9-ylanthracen-9-yl)-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-(10-anthracen-9-ylanthracen-9-yl)phenanthro[1,2-b][1]benzothiole;6-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[3-(3,5-dimethylphenyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;6-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;8-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzothiole?
The InChIKey is FIZWVJAYKZLBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34O2.C58H34O.C56H36O.C55H31F3O.C55H31F3S.C54H32O.C48H28O.C48H28S/c1-2-14-38-35(13-1)25-28-49-39(38)30-32-54-58(49)50-29-26-37(34-55(50)62-54)57-43-18-5-9-22-47(43)60(48-23-10-6-19-44(48)57)59-45-20-7-3-16-41(45)56(42-17-4-8-21-46(42)59)36-27-31-53-51(33-36)40-15-11-12-24-52(40)61-53;1-2-15-37-33-38(26-25-35(37)13-1)54-42-17-5-9-21-46(42)57(47-22-10-6-18-43(47)54)58-48-23-11-7-19-44(48)55(45-20-8-12-24-49(45)58)39-28-30-51-53(34-39)59-52-32-31-41-40-16-4-3-14-36(40)27-29-50(41)56(51)52;1-33-27-34(2)29-39(28-33)36-20-22-43-40(30-36)31-37-12-4-6-14-42(37)54(43)55-48-17-9-7-15-46(48)53(47-16-8-10-18-49(47)55)38-21-23-45-51-26-25-44-41-13-5-3-11-35(41)19-24-50(44)56(51)57-52(45)32-38;56-55(57,58)35-25-21-33(22-26-35)50-39-13-3-7-17-43(39)52(44-18-8-4-14-40(44)50)53-45-19-9-5-15-41(45)51(42-16-6-10-20-46(42)53)34-24-27-38-48-30-29-37-36-12-2-1-11-32(36)23-28-47(37)54(48)59-49(38)31-34;56-55(57,58)35-25-21-33(22-26-35)50-38-13-3-7-17-42(38)52(43-18-8-4-14-39(43)50)53-44-19-9-5-15-40(44)51(41-16-6-10-20-45(41)53)34-24-30-49-48(31-34)47-29-28-37-36-12-2-1-11-32(36)23-27-46(37)54(47)59-49;1-2-15-34(16-3-1)50-38-18-6-10-22-42(38)53(43-23-11-7-19-39(43)50)54-44-24-12-8-20-40(44)51(41-21-9-13-25-45(41)54)35-27-29-47-49(32-35)55-48-31-30-37-36-17-5-4-14-33(36)26-28-46(37)52(47)48;1-4-14-33-29(11-1)21-23-41-36(33)25-26-43-46(41)42-24-22-32(28-44(42)49-43)45-37-17-7-9-19-39(37)48(40-20-10-8-18-38(40)45)47-34-15-5-2-12-30(34)27-31-13-3-6-16-35(31)47;1-4-14-33-29(11-1)21-24-42-36(33)25-26-43-37-23-22-32(28-44(37)49-48(42)43)45-38-17-7-9-19-40(38)47(41-20-10-8-18-39(41)45)46-34-15-5-2-12-30(34)27-31-13-3-6-16-35(31)46/h1-34H;1-34H;3-32H,1-2H3;2*1-31H;1-32H;2*1-28H.
What are the key properties of 6-(10-anthracen-9-ylanthracen-9-yl)-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-(10-anthracen-9-ylanthracen-9-yl)phenanthro[1,2-b][1]benzothiole;6-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[3-(3,5-dimethylphenyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;6-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;8-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzothiole?
6-(10-anthracen-9-ylanthracen-9-yl)-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-(10-anthracen-9-ylanthracen-9-yl)phenanthro[1,2-b][1]benzothiole;6-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[3-(3,5-dimethylphenyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;6-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;8-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzothiole has a molecular weight of 5758.92 g/mol, XLogP of 127.36, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-anthracen-9-ylanthracen-9-yl)-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-(10-anthracen-9-ylanthracen-9-yl)phenanthro[1,2-b][1]benzothiole;6-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[3-(3,5-dimethylphenyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;6-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;9-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzofuran;8-[10-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzothiole is sourced from PubChem (CID 158046776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).