4-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;7-[4-(10-dibenzothiophen-1-ylanthracen-9-yl)phenyl]-16,16-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5(10),6,8,13,15(23),17,19,21-undecaene;9-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-23,23-dimethyl-12-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;16-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-3,3-dimethyl-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;16-[4-(10-dibenzothiophen-4-ylanthracen-9-yl)phenyl]-9,9-dimethyl-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

C285H180O2S8 — CID 157060670

IUPAC4-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;7-[4-(10-dibenzothiophen-1-ylanthracen-9-yl)phenyl]-16,16-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5(10),6,8,13,15(23),17,19,21-undecaene;9-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-23,23-dimethyl-12-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;16-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-3,3-dimethyl-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;16-[4-(10-dibenzothiophen-4-ylanthracen-9-yl)phenyl]-9,9-dimethyl-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2c1ccc1c2sc2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5cccc6c5sc5ccccc56)c5ccccc45)cc3)cc12.CC1(C)c2ccccc2-c2cc3c(cc21)oc1c2ccc(-c4ccc(-c5c6ccccc6c(-c6cccc7sc8ccccc8c67)c6ccccc56)cc4)cc2ccc31.CC1(C)c2ccccc2-c2cc3oc4c5ccccc5c(-c5ccc(-c6c7ccccc7c(-c7ccc8c(c7)sc7ccccc78)c7ccccc67)cc5)cc4c3cc21.CC1(C)c2ccccc2-c2ccc3c(sc4c5ccccc5c(-c5ccc(-c6c7ccccc7c(-c7ccc8sc9ccccc9c8c7)c7ccccc67)cc5)cc34)c21.CC1(C)c2ccccc2-c2ccc3sc4cc(-c5ccc(-c6c7ccccc7c(-c7ccc8sc9ccccc9c8c7)c7ccccc67)cc5)c5ccccc5c4c3c21
InChIInChI=1S/2C57H36OS.3C57H36S2/c1-57(2)49-21-11-9-14-37(49)46-32-51-47(31-50(46)57)48-30-45(36-13-3-8-20-44(36)56(48)58-51)33-23-25-34(26-24-33)54-40-16-4-6-18-42(40)55(43-19-7-5-17-41(43)54)35-27-28-39-38-15-10-12-22-52(38)59-53(39)29-35;1-57(2)48-19-9-7-12-38(48)46-31-47-43-29-27-36-30-35(26-28-37(36)56(43)58-50(47)32-49(46)57)33-22-24-34(25-23-33)53-39-13-3-5-15-41(39)54(42-16-6-4-14-40(42)53)45-18-11-21-52-55(45)44-17-8-10-20-51(44)59-52;1-57(2)48-24-11-9-21-44(48)53-49(57)31-30-43-47-32-46(35-14-3-8-20-41(35)55(47)59-56(43)53)33-26-28-34(29-27-33)51-37-16-4-6-18-39(37)52(40-19-7-5-17-38(40)51)45-23-13-22-42-36-15-10-12-25-50(36)58-54(42)45;1-57(2)49-21-11-9-14-37(49)43-28-29-45-48-32-46(36-13-3-8-20-44(36)55(48)59-56(45)54(43)57)33-23-25-34(26-24-33)52-39-16-4-6-18-41(39)53(42-19-7-5-17-40(42)52)35-27-30-51-47(31-35)38-15-10-12-22-50(38)58-51;1-57(2)47-21-11-9-14-37(47)44-28-30-50-55(56(44)57)54-39-16-4-3-13-36(39)45(32-51(54)59-50)33-23-25-34(26-24-33)52-40-17-5-7-19-42(40)53(43-20-8-6-18-41(43)52)35-27-29-49-46(31-35)38-15-10-12-22-48(38)58-49/h5*3-32H,1-2H3
InChIKeyABHIAEJDDXICFN-UHFFFAOYSA-N
MW3893.11 g/mol
LogP85.01
Rot. Bonds15

About 4-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;7-[4-(10-dibenzothiophen-1-ylanthracen-9-yl)phenyl]-16,16-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5(10),6,8,13,15(23),17,19,21-undecaene;9-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-23,23-dimethyl-12-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;16-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-3,3-dimethyl-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;16-[4-(10-dibenzothiophen-4-ylanthracen-9-yl)phenyl]-9,9-dimethyl-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

4-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;7-[4-(10-dibenzothiophen-1-ylanthracen-9-yl)phenyl]-16,16-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5(10),6,8,13,15(23),17,19,21-undecaene;9-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-23,23-dimethyl-12-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;16-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-3,3-dimethyl-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;16-[4-(10-dibenzothiophen-4-ylanthracen-9-yl)phenyl]-9,9-dimethyl-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (PubChem CID 157060670) has the molecular formula C285H180O2S8 and a molecular weight of 3893.11 g/mol. Its IUPAC name is 4-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;7-[4-(10-dibenzothiophen-1-ylanthracen-9-yl)phenyl]-16,16-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5(10),6,8,13,15(23),17,19,21-undecaene;9-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-23,23-dimethyl-12-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;16-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-3,3-dimethyl-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;16-[4-(10-dibenzothiophen-4-ylanthracen-9-yl)phenyl]-9,9-dimethyl-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name4-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;7-[4-(10-dibenzothiophen-1-ylanthracen-9-yl)phenyl]-16,16-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5(10),6,8,13,15(23),17,19,21-undecaene;9-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-23,23-dimethyl-12-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;16-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-3,3-dimethyl-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;16-[4-(10-dibenzothiophen-4-ylanthracen-9-yl)phenyl]-9,9-dimethyl-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
PubChem CID157060670
Molecular FormulaC285H180O2S8
Molecular Weight3893.11 g/mol
Exact Mass3889.17
IUPAC Name4-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;7-[4-(10-dibenzothiophen-1-ylanthracen-9-yl)phenyl]-16,16-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5(10),6,8,13,15(23),17,19,21-undecaene;9-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-23,23-dimethyl-12-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;16-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-3,3-dimethyl-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;16-[4-(10-dibenzothiophen-4-ylanthracen-9-yl)phenyl]-9,9-dimethyl-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2c1ccc1c2sc2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5cccc6c5sc5ccccc56)c5ccccc45)cc3)cc12.CC1(C)c2ccccc2-c2cc3c(cc21)oc1c2ccc(-c4ccc(-c5c6ccccc6c(-c6cccc7sc8ccccc8c67)c6ccccc56)cc4)cc2ccc31.CC1(C)c2ccccc2-c2cc3oc4c5ccccc5c(-c5ccc(-c6c7ccccc7c(-c7ccc8c(c7)sc7ccccc78)c7ccccc67)cc5)cc4c3cc21.CC1(C)c2ccccc2-c2ccc3c(sc4c5ccccc5c(-c5ccc(-c6c7ccccc7c(-c7ccc8sc9ccccc9c8c7)c7ccccc67)cc5)cc34)c21.CC1(C)c2ccccc2-c2ccc3sc4cc(-c5ccc(-c6c7ccccc7c(-c7ccc8sc9ccccc9c8c7)c7ccccc67)cc5)c5ccccc5c4c3c21
InChIInChI=1S/2C57H36OS.3C57H36S2/c1-57(2)49-21-11-9-14-37(49)46-32-51-47(31-50(46)57)48-30-45(36-13-3-8-20-44(36)56(48)58-51)33-23-25-34(26-24-33)54-40-16-4-6-18-42(40)55(43-19-7-5-17-41(43)54)35-27-28-39-38-15-10-12-22-52(38)59-53(39)29-35;1-57(2)48-19-9-7-12-38(48)46-31-47-43-29-27-36-30-35(26-28-37(36)56(43)58-50(47)32-49(46)57)33-22-24-34(25-23-33)53-39-13-3-5-15-41(39)54(42-16-6-4-14-40(42)53)45-18-11-21-52-55(45)44-17-8-10-20-51(44)59-52;1-57(2)48-24-11-9-21-44(48)53-49(57)31-30-43-47-32-46(35-14-3-8-20-41(35)55(47)59-56(43)53)33-26-28-34(29-27-33)51-37-16-4-6-18-39(37)52(40-19-7-5-17-38(40)51)45-23-13-22-42-36-15-10-12-25-50(36)58-54(42)45;1-57(2)49-21-11-9-14-37(49)43-28-29-45-48-32-46(36-13-3-8-20-44(36)55(48)59-56(45)54(43)57)33-23-25-34(26-24-33)52-39-16-4-6-18-41(39)53(42-19-7-5-17-40(42)52)35-27-30-51-47(31-35)38-15-10-12-22-50(38)58-51;1-57(2)47-21-11-9-14-37(47)44-28-30-50-55(56(44)57)54-39-16-4-3-13-36(39)45(32-51(54)59-50)33-23-25-34(26-24-33)52-40-17-5-7-19-42(40)53(43-20-8-6-18-41(43)52)35-27-29-49-46(31-35)38-15-10-12-22-48(38)58-49/h5*3-32H,1-2H3
InChIKeyABHIAEJDDXICFN-UHFFFAOYSA-N
XLogP85.01
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms295
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003893.11
LogP ≤ 585.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;7-[4-(10-dibenzothiophen-1-ylanthracen-9-yl)phenyl]-16,16-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5(10),6,8,13,15(23),17,19,21-undecaene;9-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-23,23-dimethyl-12-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;16-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-3,3-dimethyl-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;16-[4-(10-dibenzothiophen-4-ylanthracen-9-yl)phenyl]-9,9-dimethyl-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;7-[4-(10-dibenzothiophen-1-ylanthracen-9-yl)phenyl]-16,16-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5(10),6,8,13,15(23),17,19,21-undecaene;9-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-23,23-dimethyl-12-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;16-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-3,3-dimethyl-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;16-[4-(10-dibenzothiophen-4-ylanthracen-9-yl)phenyl]-9,9-dimethyl-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The IUPAC name of 4-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;7-[4-(10-dibenzothiophen-1-ylanthracen-9-yl)phenyl]-16,16-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5(10),6,8,13,15(23),17,19,21-undecaene;9-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-23,23-dimethyl-12-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;16-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-3,3-dimethyl-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;16-[4-(10-dibenzothiophen-4-ylanthracen-9-yl)phenyl]-9,9-dimethyl-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (CID 157060670) is 4-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;7-[4-(10-dibenzothiophen-1-ylanthracen-9-yl)phenyl]-16,16-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5(10),6,8,13,15(23),17,19,21-undecaene;9-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-23,23-dimethyl-12-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;16-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-3,3-dimethyl-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;16-[4-(10-dibenzothiophen-4-ylanthracen-9-yl)phenyl]-9,9-dimethyl-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.
What is the SMILES notation for 4-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;7-[4-(10-dibenzothiophen-1-ylanthracen-9-yl)phenyl]-16,16-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5(10),6,8,13,15(23),17,19,21-undecaene;9-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-23,23-dimethyl-12-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;16-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-3,3-dimethyl-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;16-[4-(10-dibenzothiophen-4-ylanthracen-9-yl)phenyl]-9,9-dimethyl-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The canonical SMILES for 4-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;7-[4-(10-dibenzothiophen-1-ylanthracen-9-yl)phenyl]-16,16-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5(10),6,8,13,15(23),17,19,21-undecaene;9-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-23,23-dimethyl-12-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;16-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-3,3-dimethyl-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;16-[4-(10-dibenzothiophen-4-ylanthracen-9-yl)phenyl]-9,9-dimethyl-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is CC1(C)c2ccccc2-c2c1ccc1c2sc2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5cccc6c5sc5ccccc56)c5ccccc45)cc3)cc12.CC1(C)c2ccccc2-c2cc3c(cc21)oc1c2ccc(-c4ccc(-c5c6ccccc6c(-c6cccc7sc8ccccc8c67)c6ccccc56)cc4)cc2ccc31.CC1(C)c2ccccc2-c2cc3oc4c5ccccc5c(-c5ccc(-c6c7ccccc7c(-c7ccc8c(c7)sc7ccccc78)c7ccccc67)cc5)cc4c3cc21.CC1(C)c2ccccc2-c2ccc3c(sc4c5ccccc5c(-c5ccc(-c6c7ccccc7c(-c7ccc8sc9ccccc9c8c7)c7ccccc67)cc5)cc34)c21.CC1(C)c2ccccc2-c2ccc3sc4cc(-c5ccc(-c6c7ccccc7c(-c7ccc8sc9ccccc9c8c7)c7ccccc67)cc5)c5ccccc5c4c3c21.
What is the InChIKey of 4-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;7-[4-(10-dibenzothiophen-1-ylanthracen-9-yl)phenyl]-16,16-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5(10),6,8,13,15(23),17,19,21-undecaene;9-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-23,23-dimethyl-12-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;16-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-3,3-dimethyl-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;16-[4-(10-dibenzothiophen-4-ylanthracen-9-yl)phenyl]-9,9-dimethyl-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The InChIKey is ABHIAEJDDXICFN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H36OS.3C57H36S2/c1-57(2)49-21-11-9-14-37(49)46-32-51-47(31-50(46)57)48-30-45(36-13-3-8-20-44(36)56(48)58-51)33-23-25-34(26-24-33)54-40-16-4-6-18-42(40)55(43-19-7-5-17-41(43)54)35-27-28-39-38-15-10-12-22-52(38)59-53(39)29-35;1-57(2)48-19-9-7-12-38(48)46-31-47-43-29-27-36-30-35(26-28-37(36)56(43)58-50(47)32-49(46)57)33-22-24-34(25-23-33)53-39-13-3-5-15-41(39)54(42-16-6-4-14-40(42)53)45-18-11-21-52-55(45)44-17-8-10-20-51(44)59-52;1-57(2)48-24-11-9-21-44(48)53-49(57)31-30-43-47-32-46(35-14-3-8-20-41(35)55(47)59-56(43)53)33-26-28-34(29-27-33)51-37-16-4-6-18-39(37)52(40-19-7-5-17-38(40)51)45-23-13-22-42-36-15-10-12-25-50(36)58-54(42)45;1-57(2)49-21-11-9-14-37(49)43-28-29-45-48-32-46(36-13-3-8-20-44(36)55(48)59-56(45)54(43)57)33-23-25-34(26-24-33)52-39-16-4-6-18-41(39)53(42-19-7-5-17-40(42)52)35-27-30-51-47(31-35)38-15-10-12-22-50(38)58-51;1-57(2)47-21-11-9-14-37(47)44-28-30-50-55(56(44)57)54-39-16-4-3-13-36(39)45(32-51(54)59-50)33-23-25-34(26-24-33)52-40-17-5-7-19-42(40)53(43-20-8-6-18-41(43)52)35-27-29-49-46(31-35)38-15-10-12-22-48(38)58-49/h5*3-32H,1-2H3.
What are the key properties of 4-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;7-[4-(10-dibenzothiophen-1-ylanthracen-9-yl)phenyl]-16,16-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5(10),6,8,13,15(23),17,19,21-undecaene;9-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-23,23-dimethyl-12-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;16-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-3,3-dimethyl-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;16-[4-(10-dibenzothiophen-4-ylanthracen-9-yl)phenyl]-9,9-dimethyl-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
4-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;7-[4-(10-dibenzothiophen-1-ylanthracen-9-yl)phenyl]-16,16-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5(10),6,8,13,15(23),17,19,21-undecaene;9-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-23,23-dimethyl-12-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;16-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-3,3-dimethyl-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;16-[4-(10-dibenzothiophen-4-ylanthracen-9-yl)phenyl]-9,9-dimethyl-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene has a molecular weight of 3893.11 g/mol, XLogP of 85.01, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;7-[4-(10-dibenzothiophen-1-ylanthracen-9-yl)phenyl]-16,16-dimethyl-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5(10),6,8,13,15(23),17,19,21-undecaene;9-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-23,23-dimethyl-12-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;16-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-3,3-dimethyl-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;16-[4-(10-dibenzothiophen-4-ylanthracen-9-yl)phenyl]-9,9-dimethyl-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 157060670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).