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

C290H160O10S5 — CID 162143012

IUPAC6-[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
SMILESc1cc(-c2ccc3sc4cc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)ccc4c3c2)c2cc3oc4cc5oc6ccccc6c5cc4c3cc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc5sc6c(-c7c8ccccc8cc8c7oc7ccc9c%10ccccc%10oc9c78)cccc6c5c4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc5sc6c(-c7c8ccccc8cc8c7oc7ccc9oc%10ccccc%10c9c78)cccc6c5c4)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)sc4ccc(-c6cccc7cc8c(cc67)oc6c8ccc7oc8ccccc8c76)cc45)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5sc6c(-c7ccc8cc9oc%10cc%11c(cc%10c9cc8c7)oc7ccccc7%11)cccc6c5c4)c4ccccc34)ccc2c1
InChIInChI=1S/5C58H32O2S/c1-3-16-36-33(13-1)15-11-23-39(36)53-42-21-7-5-19-40(42)52(41-20-6-8-22-43(41)53)35-27-30-51-47(32-35)45-24-12-25-46(58(45)61-51)54-37-17-4-2-14-34(37)31-48-55-50(60-57(48)54)29-28-44-38-18-9-10-26-49(38)59-56(44)55;1-3-16-36-33(13-1)15-11-23-38(36)53-41-20-7-5-18-39(41)52(40-19-6-8-21-42(40)53)35-27-30-51-46(32-35)43-24-12-25-45(58(43)61-51)54-37-17-4-2-14-34(37)31-47-56-50(60-57(47)54)29-28-49-55(56)44-22-9-10-26-48(44)59-49;1-2-14-37-33(11-1)12-9-21-41(37)58-44-18-5-3-16-42(44)57(43-17-4-6-19-45(43)58)36-23-25-40-50-28-35(24-26-55(50)61-56(40)29-36)38-20-10-13-34-27-47-49-30-48-39-15-7-8-22-51(39)59-53(48)32-54(49)60-52(47)31-46(34)38;1-2-11-34-28-37(21-20-33(34)10-1)55-41-13-3-5-15-43(41)56(44-16-6-4-14-42(44)55)38-22-24-40-49-30-36(23-27-53(49)61-54(40)31-38)39-18-9-12-35-29-48-45-25-26-51-57(46-17-7-8-19-50(46)59-51)58(45)60-52(48)32-47(35)39;1-2-11-34-26-37(23-20-33(34)10-1)56-42-13-3-5-15-44(42)57(45-16-6-4-14-43(45)56)38-24-25-55-50(28-38)46-18-9-17-40(58(46)61-55)36-22-21-35-30-52-47(29-39(35)27-36)49-32-53-48(31-54(49)60-52)41-12-7-8-19-51(41)59-53/h5*1-32H
InChIKeyZKEGXGLZXBJPEG-UHFFFAOYSA-N
MW3964.79 g/mol
LogP87.34
Rot. Bonds15

About 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

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 (PubChem CID 162143012) has the molecular formula C290H160O10S5 and a molecular weight of 3964.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID162143012
Molecular FormulaC290H160O10S5
Molecular Weight3964.79 g/mol
Exact Mass3961.06
IUPAC Name6-[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
SMILESc1cc(-c2ccc3sc4cc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)ccc4c3c2)c2cc3oc4cc5oc6ccccc6c5cc4c3cc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc5sc6c(-c7c8ccccc8cc8c7oc7ccc9c%10ccccc%10oc9c78)cccc6c5c4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc5sc6c(-c7c8ccccc8cc8c7oc7ccc9oc%10ccccc%10c9c78)cccc6c5c4)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)sc4ccc(-c6cccc7cc8c(cc67)oc6c8ccc7oc8ccccc8c76)cc45)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5sc6c(-c7ccc8cc9oc%10cc%11c(cc%10c9cc8c7)oc7ccccc7%11)cccc6c5c4)c4ccccc34)ccc2c1
InChIInChI=1S/5C58H32O2S/c1-3-16-36-33(13-1)15-11-23-39(36)53-42-21-7-5-19-40(42)52(41-20-6-8-22-43(41)53)35-27-30-51-47(32-35)45-24-12-25-46(58(45)61-51)54-37-17-4-2-14-34(37)31-48-55-50(60-57(48)54)29-28-44-38-18-9-10-26-49(38)59-56(44)55;1-3-16-36-33(13-1)15-11-23-38(36)53-41-20-7-5-18-39(41)52(40-19-6-8-21-42(40)53)35-27-30-51-46(32-35)43-24-12-25-45(58(43)61-51)54-37-17-4-2-14-34(37)31-47-56-50(60-57(47)54)29-28-49-55(56)44-22-9-10-26-48(44)59-49;1-2-14-37-33(11-1)12-9-21-41(37)58-44-18-5-3-16-42(44)57(43-17-4-6-19-45(43)58)36-23-25-40-50-28-35(24-26-55(50)61-56(40)29-36)38-20-10-13-34-27-47-49-30-48-39-15-7-8-22-51(39)59-53(48)32-54(49)60-52(47)31-46(34)38;1-2-11-34-28-37(21-20-33(34)10-1)55-41-13-3-5-15-43(41)56(44-16-6-4-14-42(44)55)38-22-24-40-49-30-36(23-27-53(49)61-54(40)31-38)39-18-9-12-35-29-48-45-25-26-51-57(46-17-7-8-19-50(46)59-51)58(45)60-52(48)32-47(35)39;1-2-11-34-26-37(23-20-33(34)10-1)56-42-13-3-5-15-44(42)57(45-16-6-4-14-43(45)56)38-24-25-55-50(28-38)46-18-9-17-40(58(46)61-55)36-22-21-35-30-52-47(29-39(35)27-36)49-32-53-48(31-54(49)60-52)41-12-7-8-19-51(41)59-53/h5*1-32H
InChIKeyZKEGXGLZXBJPEG-UHFFFAOYSA-N
XLogP87.34
TPSA131.40 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms305
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003964.79
LogP ≤ 587.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2ccc3sc4cc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)ccc4c3c2)c2cc3oc4cc5oc6ccccc6c5cc4c3cc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc5sc6c(-c7c8ccccc8cc8c7oc7ccc9c%10ccccc%10oc9c78)cccc6c5c4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc5sc6c(-c7c8ccccc8cc8c7oc7ccc9oc%10ccccc%10c9c78)cccc6c5c4)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)sc4ccc(-c6cccc7cc8c(cc67)oc6c8ccc7oc8ccccc8c76)cc45)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5sc6c(-c7ccc8cc9oc%10cc%11c(cc%10c9cc8c7)oc7ccccc7%11)cccc6c5c4)c4ccccc34)ccc2c1.
What is the InChIKey of 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?
The InChIKey is ZKEGXGLZXBJPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/5C58H32O2S/c1-3-16-36-33(13-1)15-11-23-39(36)53-42-21-7-5-19-40(42)52(41-20-6-8-22-43(41)53)35-27-30-51-47(32-35)45-24-12-25-46(58(45)61-51)54-37-17-4-2-14-34(37)31-48-55-50(60-57(48)54)29-28-44-38-18-9-10-26-49(38)59-56(44)55;1-3-16-36-33(13-1)15-11-23-38(36)53-41-20-7-5-18-39(41)52(40-19-6-8-21-42(40)53)35-27-30-51-46(32-35)43-24-12-25-45(58(43)61-51)54-37-17-4-2-14-34(37)31-47-56-50(60-57(47)54)29-28-49-55(56)44-22-9-10-26-48(44)59-49;1-2-14-37-33(11-1)12-9-21-41(37)58-44-18-5-3-16-42(44)57(43-17-4-6-19-45(43)58)36-23-25-40-50-28-35(24-26-55(50)61-56(40)29-36)38-20-10-13-34-27-47-49-30-48-39-15-7-8-22-51(39)59-53(48)32-54(49)60-52(47)31-46(34)38;1-2-11-34-28-37(21-20-33(34)10-1)55-41-13-3-5-15-43(41)56(44-16-6-4-14-42(44)55)38-22-24-40-49-30-36(23-27-53(49)61-54(40)31-38)39-18-9-12-35-29-48-45-25-26-51-57(46-17-7-8-19-50(46)59-51)58(45)60-52(48)32-47(35)39;1-2-11-34-26-37(23-20-33(34)10-1)56-42-13-3-5-15-44(42)57(45-16-6-4-14-43(45)56)38-24-25-55-50(28-38)46-18-9-17-40(58(46)61-55)36-22-21-35-30-52-47(29-39(35)27-36)49-32-53-48(31-54(49)60-52)41-12-7-8-19-51(41)59-53/h5*1-32H.
What are the key properties of 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?
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 has a molecular weight of 3964.79 g/mol, XLogP of 87.34, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162143012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).