3-tert-butyl-8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(10-dodecylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;8-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzothiole;10-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzothiole;8-[10-(10-methoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-3-propan-2-ylnaphtho[2,1-b][1]benzofuran;2-[10-[10-(4-propan-2-ylnaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-[10-[10-(4-propan-2-ylphenyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran

C513H357F3O11S2 — CID 161364511

IUPAC3-tert-butyl-8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(10-dodecylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;8-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzothiole;10-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzothiole;8-[10-(10-methoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-3-propan-2-ylnaphtho[2,1-b][1]benzofuran;2-[10-[10-(4-propan-2-ylnaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-[10-[10-(4-propan-2-ylphenyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
SMILESCC(C)(C)c1ccc2c(ccc3oc4c(-c5c6ccccc6c(-c6c7ccccc7cc7cc(-c8ccccc8)ccc67)c6ccccc56)cccc4c32)c1.CC(C)c1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5c(c4)oc4cc6ccccc6cc45)c4ccccc34)c3ccccc23)cc1.CC(C)c1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5oc6cc7ccccc7cc6c5c4)c4ccccc34)c3ccccc23)c2ccccc12.CC(C)c1ccc2c(ccc3oc4c(-c5c6ccccc6c(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c6ccccc56)cccc4c32)c1.CCCCCCCCCCCCc1c2ccccc2c(-c2c3ccccc3c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc23)c2ccccc12.CCCCCCOc1c2ccccc2c(-c2c3ccccc3c(-c3cccc4c3sc3c5ccccc5ccc43)c3ccccc23)c2ccccc12.CCCCCCOc1c2ccccc2c(-c2c3ccccc3c(-c3cccc4c3sc3ccc5ccccc5c34)c3ccccc23)c2ccccc12.COc1c2ccccc2c(-c2c3ccccc3c(-c3cccc4c3oc3ccc5ccccc5c34)c3ccccc23)c2ccccc12.FC(F)(F)c1c2ccccc2c(-c2c3ccccc3c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc23)c2ccccc12.c1ccc(-c2ccc3c(-c4c5ccccc5c(-c5cccc6c5oc5ccc7ccccc7c56)c5ccccc45)c4ccccc4cc3c2)cc1
InChIInChI=1S/C57H38O.C56H50O.C54H38O.2C53H36O.2C50H38OS.C50H30O.C45H25F3O.C45H28O2/c1-34(2)38-28-29-49(40-18-6-5-17-39(38)40)55-43-21-9-13-25-47(43)57(48-26-14-10-22-44(48)55)56-45-23-11-7-19-41(45)54(42-20-8-12-24-46(42)56)37-27-30-52-50(32-37)51-31-35-15-3-4-16-36(35)33-53(51)58-52;1-2-3-4-5-6-7-8-9-10-11-24-41-42-25-14-16-27-44(42)55(45-28-17-15-26-43(41)45)56-48-31-20-18-29-46(48)54(47-30-19-21-32-49(47)56)40-33-34-52-50(36-40)51-35-38-22-12-13-23-39(38)37-53(51)57-52;1-54(2,3)38-26-28-40-36(32-38)25-29-48-50(40)47-23-13-22-46(53(47)55-48)49-42-18-9-11-20-44(42)52(45-21-12-10-19-43(45)49)51-39-17-8-7-16-35(39)31-37-30-34(24-27-41(37)51)33-14-5-4-6-15-33;1-32(2)33-23-25-34(26-24-33)50-39-15-5-9-19-43(39)52(44-20-10-6-16-40(44)50)53-45-21-11-7-17-41(45)51(42-18-8-12-22-46(42)53)37-27-28-38-47-29-35-13-3-4-14-36(35)30-49(47)54-48(38)31-37;1-32(2)34-27-29-36-35(31-34)28-30-47-50(36)46-26-14-25-45(53(46)54-47)49-39-19-8-12-23-43(39)52(44-24-13-9-20-40(44)49)51-41-21-10-6-17-37(41)48(33-15-4-3-5-16-33)38-18-7-11-22-42(38)51;1-2-3-4-15-31-51-48-40-25-13-11-23-38(40)47(39-24-12-14-26-41(39)48)46-36-21-9-7-19-34(36)45(35-20-8-10-22-37(35)46)44-28-16-27-42-43-30-29-32-17-5-6-18-33(32)49(43)52-50(42)44;1-2-3-4-15-31-51-49-40-25-13-11-23-38(40)48(39-24-12-14-26-41(39)49)47-36-21-9-7-19-34(36)45(35-20-8-10-22-37(35)47)42-27-16-28-43-46-33-18-6-5-17-32(33)29-30-44(46)52-50(42)43;1-2-13-31(14-3-1)33-25-27-38-35(29-33)30-34-16-5-7-18-37(34)48(38)49-41-21-10-8-19-39(41)46(40-20-9-11-22-42(40)49)43-23-12-24-44-47-36-17-6-4-15-32(36)26-28-45(47)51-50(43)44;46-45(47,48)44-35-19-9-7-17-33(35)43(34-18-8-10-20-36(34)44)42-31-15-5-3-13-29(31)41(30-14-4-6-16-32(30)42)28-21-22-39-37(24-28)38-23-26-11-1-2-12-27(26)25-40(38)49-39;1-46-44-35-21-10-8-19-33(35)43(34-20-9-11-22-36(34)44)42-31-17-6-4-15-29(31)40(30-16-5-7-18-32(30)42)37-23-12-24-38-41-28-14-3-2-13-27(28)25-26-39(41)47-45(37)38/h3-34H,1-2H3;12-23,25-37H,2-11,24H2,1H3;4-32H,1-3H3;2*3-32H,1-2H3;2*5-14,16-30H,2-4,15,31H2,1H3;1-30H;1-25H;2-26H,1H3
InChIKeyVPQFWXINWAAKNK-UHFFFAOYSA-N
MW6818.62 g/mol
LogP151.36
Rot. Bonds52

About 3-tert-butyl-8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(10-dodecylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;8-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzothiole;10-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzothiole;8-[10-(10-methoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-3-propan-2-ylnaphtho[2,1-b][1]benzofuran;2-[10-[10-(4-propan-2-ylnaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-[10-[10-(4-propan-2-ylphenyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran

3-tert-butyl-8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(10-dodecylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;8-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzothiole;10-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzothiole;8-[10-(10-methoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-3-propan-2-ylnaphtho[2,1-b][1]benzofuran;2-[10-[10-(4-propan-2-ylnaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-[10-[10-(4-propan-2-ylphenyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 161364511) has the molecular formula C513H357F3O11S2 and a molecular weight of 6818.62 g/mol. Its IUPAC name is 3-tert-butyl-8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(10-dodecylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;8-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzothiole;10-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzothiole;8-[10-(10-methoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-3-propan-2-ylnaphtho[2,1-b][1]benzofuran;2-[10-[10-(4-propan-2-ylnaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-[10-[10-(4-propan-2-ylphenyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name3-tert-butyl-8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(10-dodecylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;8-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzothiole;10-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzothiole;8-[10-(10-methoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-3-propan-2-ylnaphtho[2,1-b][1]benzofuran;2-[10-[10-(4-propan-2-ylnaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-[10-[10-(4-propan-2-ylphenyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
PubChem CID161364511
Molecular FormulaC513H357F3O11S2
Molecular Weight6818.62 g/mol
Exact Mass6812.68
IUPAC Name3-tert-butyl-8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(10-dodecylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;8-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzothiole;10-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzothiole;8-[10-(10-methoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-3-propan-2-ylnaphtho[2,1-b][1]benzofuran;2-[10-[10-(4-propan-2-ylnaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-[10-[10-(4-propan-2-ylphenyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
SMILESCC(C)(C)c1ccc2c(ccc3oc4c(-c5c6ccccc6c(-c6c7ccccc7cc7cc(-c8ccccc8)ccc67)c6ccccc56)cccc4c32)c1.CC(C)c1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5c(c4)oc4cc6ccccc6cc45)c4ccccc34)c3ccccc23)cc1.CC(C)c1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5oc6cc7ccccc7cc6c5c4)c4ccccc34)c3ccccc23)c2ccccc12.CC(C)c1ccc2c(ccc3oc4c(-c5c6ccccc6c(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c6ccccc56)cccc4c32)c1.CCCCCCCCCCCCc1c2ccccc2c(-c2c3ccccc3c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc23)c2ccccc12.CCCCCCOc1c2ccccc2c(-c2c3ccccc3c(-c3cccc4c3sc3c5ccccc5ccc43)c3ccccc23)c2ccccc12.CCCCCCOc1c2ccccc2c(-c2c3ccccc3c(-c3cccc4c3sc3ccc5ccccc5c34)c3ccccc23)c2ccccc12.COc1c2ccccc2c(-c2c3ccccc3c(-c3cccc4c3oc3ccc5ccccc5c34)c3ccccc23)c2ccccc12.FC(F)(F)c1c2ccccc2c(-c2c3ccccc3c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc23)c2ccccc12.c1ccc(-c2ccc3c(-c4c5ccccc5c(-c5cccc6c5oc5ccc7ccccc7c56)c5ccccc45)c4ccccc4cc3c2)cc1
InChIInChI=1S/C57H38O.C56H50O.C54H38O.2C53H36O.2C50H38OS.C50H30O.C45H25F3O.C45H28O2/c1-34(2)38-28-29-49(40-18-6-5-17-39(38)40)55-43-21-9-13-25-47(43)57(48-26-14-10-22-44(48)55)56-45-23-11-7-19-41(45)54(42-20-8-12-24-46(42)56)37-27-30-52-50(32-37)51-31-35-15-3-4-16-36(35)33-53(51)58-52;1-2-3-4-5-6-7-8-9-10-11-24-41-42-25-14-16-27-44(42)55(45-28-17-15-26-43(41)45)56-48-31-20-18-29-46(48)54(47-30-19-21-32-49(47)56)40-33-34-52-50(36-40)51-35-38-22-12-13-23-39(38)37-53(51)57-52;1-54(2,3)38-26-28-40-36(32-38)25-29-48-50(40)47-23-13-22-46(53(47)55-48)49-42-18-9-11-20-44(42)52(45-21-12-10-19-43(45)49)51-39-17-8-7-16-35(39)31-37-30-34(24-27-41(37)51)33-14-5-4-6-15-33;1-32(2)33-23-25-34(26-24-33)50-39-15-5-9-19-43(39)52(44-20-10-6-16-40(44)50)53-45-21-11-7-17-41(45)51(42-18-8-12-22-46(42)53)37-27-28-38-47-29-35-13-3-4-14-36(35)30-49(47)54-48(38)31-37;1-32(2)34-27-29-36-35(31-34)28-30-47-50(36)46-26-14-25-45(53(46)54-47)49-39-19-8-12-23-43(39)52(44-24-13-9-20-40(44)49)51-41-21-10-6-17-37(41)48(33-15-4-3-5-16-33)38-18-7-11-22-42(38)51;1-2-3-4-15-31-51-48-40-25-13-11-23-38(40)47(39-24-12-14-26-41(39)48)46-36-21-9-7-19-34(36)45(35-20-8-10-22-37(35)46)44-28-16-27-42-43-30-29-32-17-5-6-18-33(32)49(43)52-50(42)44;1-2-3-4-15-31-51-49-40-25-13-11-23-38(40)48(39-24-12-14-26-41(39)49)47-36-21-9-7-19-34(36)45(35-20-8-10-22-37(35)47)42-27-16-28-43-46-33-18-6-5-17-32(33)29-30-44(46)52-50(42)43;1-2-13-31(14-3-1)33-25-27-38-35(29-33)30-34-16-5-7-18-37(34)48(38)49-41-21-10-8-19-39(41)46(40-20-9-11-22-42(40)49)43-23-12-24-44-47-36-17-6-4-15-32(36)26-28-45(47)51-50(43)44;46-45(47,48)44-35-19-9-7-17-33(35)43(34-18-8-10-20-36(34)44)42-31-15-5-3-13-29(31)41(30-14-4-6-16-32(30)42)28-21-22-39-37(24-28)38-23-26-11-1-2-12-27(26)25-40(38)49-39;1-46-44-35-21-10-8-19-33(35)43(34-20-9-11-22-36(34)44)42-31-17-6-4-15-29(31)40(30-16-5-7-18-32(30)42)37-23-12-24-38-41-28-14-3-2-13-27(28)25-26-39(41)47-45(37)38/h3-34H,1-2H3;12-23,25-37H,2-11,24H2,1H3;4-32H,1-3H3;2*3-32H,1-2H3;2*5-14,16-30H,2-4,15,31H2,1H3;1-30H;1-25H;2-26H,1H3
InChIKeyVPQFWXINWAAKNK-UHFFFAOYSA-N
XLogP151.36
TPSA132.81 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds52
Heavy Atoms529
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006818.62
LogP ≤ 5151.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-tert-butyl-8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(10-dodecylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;8-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzothiole;10-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzothiole;8-[10-(10-methoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-3-propan-2-ylnaphtho[2,1-b][1]benzofuran;2-[10-[10-(4-propan-2-ylnaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-[10-[10-(4-propan-2-ylphenyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran with MolForge

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Related Compounds

[4-(4-Hexoxyphenyl)phenyl] 3-[3,3,4,4,5,5-hexafluoro-2-[6-[4-(4-hexoxyphenyl)phenoxy]carbonyl-2-methyl-1-benzothiophen-3-yl]cyclopenten-1-yl]-2-methyl-1-benzothiophene-6-carboxylate
CID 23113279
Octyl 4-(2,12-diethoxy-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-7-yl)-3-fluoro-6-methylthieno[2,3-c]thiophene-2-carboxylate
CID 89136884
Octyl 3-fluoro-6-methyl-4-(17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-7-yl)thieno[2,3-c]thiophene-2-carboxylate
CID 89136894
Ethyl 3-fluoro-6-methyl-4-(17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-7-yl)thieno[2,3-c]thiophene-2-carboxylate
CID 89136931
Dodecyl 4-(2,12-diethoxy-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-7-yl)-3-fluoro-6-methylthieno[2,3-c]thiophene-2-carboxylate
CID 89136959
Ethyl 4-(2,12-didodecoxy-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-7-yl)-3-fluoro-6-methylthieno[2,3-c]thiophene-2-carboxylate
CID 89136960
Dodecyl 4-(2,12-didodecoxy-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-7-yl)-3-fluoro-6-methylthieno[2,3-c]thiophene-2-carboxylate
CID 89136961
Octyl 4-(2,12-didodecoxy-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-7-yl)-3-fluoro-6-methylthieno[2,3-c]thiophene-2-carboxylate
CID 89136962
Dodecyl 3-fluoro-6-methyl-4-(17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-7-yl)thieno[2,3-c]thiophene-2-carboxylate
CID 89136968
2-Ethylhexyl 6-tert-butyl-4-[7-tert-butyl-4,9-bis(2-butyloctoxy)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]-3-fluorothieno[2,3-c]thiophene-2-carboxylate
CID 89184732
4-[15-(3,4-Difluorophenyl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl]dibenzofuran
CID 89516451
1-[4-[4,9-Bis(2-butyloctoxy)-2-methyl-[1]benzothiolo[6,5-f][1]benzothiol-7-yl]-3-fluoro-6-methylthieno[2,3-c]thiophen-2-yl]-2-ethylhexan-1-one
CID 89969246

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(10-dodecylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;8-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzothiole;10-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzothiole;8-[10-(10-methoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-3-propan-2-ylnaphtho[2,1-b][1]benzofuran;2-[10-[10-(4-propan-2-ylnaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-[10-[10-(4-propan-2-ylphenyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The IUPAC name of 3-tert-butyl-8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(10-dodecylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;8-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzothiole;10-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzothiole;8-[10-(10-methoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-3-propan-2-ylnaphtho[2,1-b][1]benzofuran;2-[10-[10-(4-propan-2-ylnaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-[10-[10-(4-propan-2-ylphenyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran (CID 161364511) is 3-tert-butyl-8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(10-dodecylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;8-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzothiole;10-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzothiole;8-[10-(10-methoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-3-propan-2-ylnaphtho[2,1-b][1]benzofuran;2-[10-[10-(4-propan-2-ylnaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-[10-[10-(4-propan-2-ylphenyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 3-tert-butyl-8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(10-dodecylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;8-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzothiole;10-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzothiole;8-[10-(10-methoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-3-propan-2-ylnaphtho[2,1-b][1]benzofuran;2-[10-[10-(4-propan-2-ylnaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-[10-[10-(4-propan-2-ylphenyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 3-tert-butyl-8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(10-dodecylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;8-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzothiole;10-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzothiole;8-[10-(10-methoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-3-propan-2-ylnaphtho[2,1-b][1]benzofuran;2-[10-[10-(4-propan-2-ylnaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-[10-[10-(4-propan-2-ylphenyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran is CC(C)(C)c1ccc2c(ccc3oc4c(-c5c6ccccc6c(-c6c7ccccc7cc7cc(-c8ccccc8)ccc67)c6ccccc56)cccc4c32)c1.CC(C)c1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5c(c4)oc4cc6ccccc6cc45)c4ccccc34)c3ccccc23)cc1.CC(C)c1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5oc6cc7ccccc7cc6c5c4)c4ccccc34)c3ccccc23)c2ccccc12.CC(C)c1ccc2c(ccc3oc4c(-c5c6ccccc6c(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c6ccccc56)cccc4c32)c1.CCCCCCCCCCCCc1c2ccccc2c(-c2c3ccccc3c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc23)c2ccccc12.CCCCCCOc1c2ccccc2c(-c2c3ccccc3c(-c3cccc4c3sc3c5ccccc5ccc43)c3ccccc23)c2ccccc12.CCCCCCOc1c2ccccc2c(-c2c3ccccc3c(-c3cccc4c3sc3ccc5ccccc5c34)c3ccccc23)c2ccccc12.COc1c2ccccc2c(-c2c3ccccc3c(-c3cccc4c3oc3ccc5ccccc5c34)c3ccccc23)c2ccccc12.FC(F)(F)c1c2ccccc2c(-c2c3ccccc3c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc23)c2ccccc12.c1ccc(-c2ccc3c(-c4c5ccccc5c(-c5cccc6c5oc5ccc7ccccc7c56)c5ccccc45)c4ccccc4cc3c2)cc1.
What is the InChIKey of 3-tert-butyl-8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(10-dodecylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;8-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzothiole;10-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzothiole;8-[10-(10-methoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-3-propan-2-ylnaphtho[2,1-b][1]benzofuran;2-[10-[10-(4-propan-2-ylnaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-[10-[10-(4-propan-2-ylphenyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The InChIKey is VPQFWXINWAAKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38O.C56H50O.C54H38O.2C53H36O.2C50H38OS.C50H30O.C45H25F3O.C45H28O2/c1-34(2)38-28-29-49(40-18-6-5-17-39(38)40)55-43-21-9-13-25-47(43)57(48-26-14-10-22-44(48)55)56-45-23-11-7-19-41(45)54(42-20-8-12-24-46(42)56)37-27-30-52-50(32-37)51-31-35-15-3-4-16-36(35)33-53(51)58-52;1-2-3-4-5-6-7-8-9-10-11-24-41-42-25-14-16-27-44(42)55(45-28-17-15-26-43(41)45)56-48-31-20-18-29-46(48)54(47-30-19-21-32-49(47)56)40-33-34-52-50(36-40)51-35-38-22-12-13-23-39(38)37-53(51)57-52;1-54(2,3)38-26-28-40-36(32-38)25-29-48-50(40)47-23-13-22-46(53(47)55-48)49-42-18-9-11-20-44(42)52(45-21-12-10-19-43(45)49)51-39-17-8-7-16-35(39)31-37-30-34(24-27-41(37)51)33-14-5-4-6-15-33;1-32(2)33-23-25-34(26-24-33)50-39-15-5-9-19-43(39)52(44-20-10-6-16-40(44)50)53-45-21-11-7-17-41(45)51(42-18-8-12-22-46(42)53)37-27-28-38-47-29-35-13-3-4-14-36(35)30-49(47)54-48(38)31-37;1-32(2)34-27-29-36-35(31-34)28-30-47-50(36)46-26-14-25-45(53(46)54-47)49-39-19-8-12-23-43(39)52(44-24-13-9-20-40(44)49)51-41-21-10-6-17-37(41)48(33-15-4-3-5-16-33)38-18-7-11-22-42(38)51;1-2-3-4-15-31-51-48-40-25-13-11-23-38(40)47(39-24-12-14-26-41(39)48)46-36-21-9-7-19-34(36)45(35-20-8-10-22-37(35)46)44-28-16-27-42-43-30-29-32-17-5-6-18-33(32)49(43)52-50(42)44;1-2-3-4-15-31-51-49-40-25-13-11-23-38(40)48(39-24-12-14-26-41(39)49)47-36-21-9-7-19-34(36)45(35-20-8-10-22-37(35)47)42-27-16-28-43-46-33-18-6-5-17-32(33)29-30-44(46)52-50(42)43;1-2-13-31(14-3-1)33-25-27-38-35(29-33)30-34-16-5-7-18-37(34)48(38)49-41-21-10-8-19-39(41)46(40-20-9-11-22-42(40)49)43-23-12-24-44-47-36-17-6-4-15-32(36)26-28-45(47)51-50(43)44;46-45(47,48)44-35-19-9-7-17-33(35)43(34-18-8-10-20-36(34)44)42-31-15-5-3-13-29(31)41(30-14-4-6-16-32(30)42)28-21-22-39-37(24-28)38-23-26-11-1-2-12-27(26)25-40(38)49-39;1-46-44-35-21-10-8-19-33(35)43(34-20-9-11-22-36(34)44)42-31-17-6-4-15-29(31)40(30-16-5-7-18-32(30)42)37-23-12-24-38-41-28-14-3-2-13-27(28)25-26-39(41)47-45(37)38/h3-34H,1-2H3;12-23,25-37H,2-11,24H2,1H3;4-32H,1-3H3;2*3-32H,1-2H3;2*5-14,16-30H,2-4,15,31H2,1H3;1-30H;1-25H;2-26H,1H3.
What are the key properties of 3-tert-butyl-8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(10-dodecylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;8-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzothiole;10-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzothiole;8-[10-(10-methoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-3-propan-2-ylnaphtho[2,1-b][1]benzofuran;2-[10-[10-(4-propan-2-ylnaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-[10-[10-(4-propan-2-ylphenyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
3-tert-butyl-8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(10-dodecylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;8-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzothiole;10-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzothiole;8-[10-(10-methoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-3-propan-2-ylnaphtho[2,1-b][1]benzofuran;2-[10-[10-(4-propan-2-ylnaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-[10-[10-(4-propan-2-ylphenyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 6818.62 g/mol, XLogP of 151.36, 52 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(10-dodecylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;8-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzothiole;10-[10-(10-hexoxyanthracen-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzothiole;8-[10-(10-methoxyanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(3-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-3-propan-2-ylnaphtho[2,1-b][1]benzofuran;2-[10-[10-(4-propan-2-ylnaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-[10-[10-(4-propan-2-ylphenyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 161364511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).