5,10-bis(4-tert-butylphenyl)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine;5-[2,4-bis(trifluoromethyl)phenyl]-10-[4-methyl-2-(trifluoromethyl)phenyl]-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,10-ditert-butyl-17,19-bis(9,9-dimethylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;17,19-di(dibenzothiophen-4-yl)-4,11-bis(2,4,6-trifluorophenoxy)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;2,3-diphenyl-5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine

C392H247F15N14O2S8 — CID 162051928

IUPAC5,10-bis(4-tert-butylphenyl)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine;5-[2,4-bis(trifluoromethyl)phenyl]-10-[4-methyl-2-(trifluoromethyl)phenyl]-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,10-ditert-butyl-17,19-bis(9,9-dimethylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;17,19-di(dibenzothiophen-4-yl)-4,11-bis(2,4,6-trifluorophenoxy)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;2,3-diphenyl-5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(C)(C)C)cc4)ccc2c2nc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)sc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4nc32)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1c1nc3c(-c4cccc5c4-c4ccccc4C5(C)C)sc(-c4cccc5c4-c4ccccc4C5(C)C)c3nc21.Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc2c2nc4c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)sc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4nc32)c(C(F)(F)F)c1.Fc1cc(F)c(Oc2ccc3c4ccc(Oc5c(F)cc(F)cc5F)cc4c4nc5c(-c6cccc7c6sc6ccccc67)sc(-c6cccc7c6sc6ccccc67)c5nc4c3c2)c(F)c1.c1ccc(-c2nc3c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)sc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3nc2-c2ccccc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3sc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4nccnc34)cc21
InChIInChI=1S/C88H62N2S.C70H39F9N4S.C68H40N2S.C56H32N2S.C56H50N2S.C54H24F6N2O2S3/c1-85(2,3)55-43-37-51(38-44-55)53-41-47-61-67(49-53)68-50-54(52-39-45-56(46-40-52)86(4,5)6)42-48-62(68)80-79(61)89-81-82(90-80)84(66-28-20-36-76-78(66)64-26-12-18-34-74(64)88(76)71-31-15-9-23-59(71)60-24-10-16-32-72(60)88)91-83(81)65-27-19-35-75-77(65)63-25-11-17-33-73(63)87(75)69-29-13-7-21-57(69)58-22-8-14-30-70(58)87;1-38-20-26-46(56(32-38)69(74,75)76)39-21-29-52-54(33-39)55-34-40(47-31-25-43(68(71,72)73)37-57(47)70(77,78)79)22-30-53(55)63-62(52)80-64-65(81-63)67(42-24-28-51-49-17-9-11-19-59(49)83(61(51)36-42)45-14-6-3-7-15-45)84-66(64)41-23-27-50-48-16-8-10-18-58(48)82(60(50)35-41)44-12-4-2-5-13-44;1-3-19-41(20-4-1)61-62(42-21-5-2-6-22-42)70-64-63(69-61)65(43-35-37-51-49-27-11-17-33-57(49)67(59(51)39-43)53-29-13-7-23-45(53)46-24-8-14-30-54(46)67)71-66(64)44-36-38-52-50-28-12-18-34-58(50)68(60(52)40-44)55-31-15-9-25-47(55)48-26-10-16-32-56(48)68;1-7-19-43-35(13-1)36-14-2-8-20-44(36)55(43)47-23-11-5-17-39(47)41-27-25-33(31-49(41)55)53-51-52(58-30-29-57-51)54(59-53)34-26-28-42-40-18-6-12-24-48(40)56(50(42)32-34)45-21-9-3-15-37(45)38-16-4-10-22-46(38)56;1-53(2,3)31-25-27-33-39(29-31)40-30-32(54(4,5)6)26-28-34(40)48-47(33)57-49-50(58-48)52(38-20-16-24-44-46(38)36-18-12-14-22-42(36)56(44,9)10)59-51(49)37-19-15-23-43-45(37)35-17-11-13-21-41(35)55(43,7)8;55-25-19-39(57)49(40(58)20-25)63-27-15-17-29-30-18-16-28(64-50-41(59)21-26(56)22-42(50)60)24-38(30)46-45(37(29)23-27)61-47-48(62-46)54(36-12-6-10-34-32-8-2-4-14-44(32)66-52(34)36)67-53(47)35-11-5-9-33-31-7-1-3-13-43(31)65-51(33)35/h7-50H,1-6H3;2-37H,1H3;1-40H;1-32H;11-30H,1-10H3;1-24H
InChIKeyYYQUHUPLQOJWRR-UHFFFAOYSA-N
MW5726.89 g/mol
LogP108.57
Rot. Bonds24

About 5,10-bis(4-tert-butylphenyl)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine;5-[2,4-bis(trifluoromethyl)phenyl]-10-[4-methyl-2-(trifluoromethyl)phenyl]-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,10-ditert-butyl-17,19-bis(9,9-dimethylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;17,19-di(dibenzothiophen-4-yl)-4,11-bis(2,4,6-trifluorophenoxy)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;2,3-diphenyl-5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine

5,10-bis(4-tert-butylphenyl)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine;5-[2,4-bis(trifluoromethyl)phenyl]-10-[4-methyl-2-(trifluoromethyl)phenyl]-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,10-ditert-butyl-17,19-bis(9,9-dimethylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;17,19-di(dibenzothiophen-4-yl)-4,11-bis(2,4,6-trifluorophenoxy)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;2,3-diphenyl-5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine (PubChem CID 162051928) has the molecular formula C392H247F15N14O2S8 and a molecular weight of 5726.89 g/mol. Its IUPAC name is 5,10-bis(4-tert-butylphenyl)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine;5-[2,4-bis(trifluoromethyl)phenyl]-10-[4-methyl-2-(trifluoromethyl)phenyl]-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,10-ditert-butyl-17,19-bis(9,9-dimethylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;17,19-di(dibenzothiophen-4-yl)-4,11-bis(2,4,6-trifluorophenoxy)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;2,3-diphenyl-5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine.

Molecular Properties

Compound Name5,10-bis(4-tert-butylphenyl)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine;5-[2,4-bis(trifluoromethyl)phenyl]-10-[4-methyl-2-(trifluoromethyl)phenyl]-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,10-ditert-butyl-17,19-bis(9,9-dimethylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;17,19-di(dibenzothiophen-4-yl)-4,11-bis(2,4,6-trifluorophenoxy)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;2,3-diphenyl-5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine
PubChem CID162051928
Molecular FormulaC392H247F15N14O2S8
Molecular Weight5726.89 g/mol
Exact Mass5721.72
IUPAC Name5,10-bis(4-tert-butylphenyl)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine;5-[2,4-bis(trifluoromethyl)phenyl]-10-[4-methyl-2-(trifluoromethyl)phenyl]-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,10-ditert-butyl-17,19-bis(9,9-dimethylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;17,19-di(dibenzothiophen-4-yl)-4,11-bis(2,4,6-trifluorophenoxy)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;2,3-diphenyl-5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(C)(C)C)cc4)ccc2c2nc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)sc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4nc32)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1c1nc3c(-c4cccc5c4-c4ccccc4C5(C)C)sc(-c4cccc5c4-c4ccccc4C5(C)C)c3nc21.Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc2c2nc4c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)sc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4nc32)c(C(F)(F)F)c1.Fc1cc(F)c(Oc2ccc3c4ccc(Oc5c(F)cc(F)cc5F)cc4c4nc5c(-c6cccc7c6sc6ccccc67)sc(-c6cccc7c6sc6ccccc67)c5nc4c3c2)c(F)c1.c1ccc(-c2nc3c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)sc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3nc2-c2ccccc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3sc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4nccnc34)cc21
InChIInChI=1S/C88H62N2S.C70H39F9N4S.C68H40N2S.C56H32N2S.C56H50N2S.C54H24F6N2O2S3/c1-85(2,3)55-43-37-51(38-44-55)53-41-47-61-67(49-53)68-50-54(52-39-45-56(46-40-52)86(4,5)6)42-48-62(68)80-79(61)89-81-82(90-80)84(66-28-20-36-76-78(66)64-26-12-18-34-74(64)88(76)71-31-15-9-23-59(71)60-24-10-16-32-72(60)88)91-83(81)65-27-19-35-75-77(65)63-25-11-17-33-73(63)87(75)69-29-13-7-21-57(69)58-22-8-14-30-70(58)87;1-38-20-26-46(56(32-38)69(74,75)76)39-21-29-52-54(33-39)55-34-40(47-31-25-43(68(71,72)73)37-57(47)70(77,78)79)22-30-53(55)63-62(52)80-64-65(81-63)67(42-24-28-51-49-17-9-11-19-59(49)83(61(51)36-42)45-14-6-3-7-15-45)84-66(64)41-23-27-50-48-16-8-10-18-58(48)82(60(50)35-41)44-12-4-2-5-13-44;1-3-19-41(20-4-1)61-62(42-21-5-2-6-22-42)70-64-63(69-61)65(43-35-37-51-49-27-11-17-33-57(49)67(59(51)39-43)53-29-13-7-23-45(53)46-24-8-14-30-54(46)67)71-66(64)44-36-38-52-50-28-12-18-34-58(50)68(60(52)40-44)55-31-15-9-25-47(55)48-26-10-16-32-56(48)68;1-7-19-43-35(13-1)36-14-2-8-20-44(36)55(43)47-23-11-5-17-39(47)41-27-25-33(31-49(41)55)53-51-52(58-30-29-57-51)54(59-53)34-26-28-42-40-18-6-12-24-48(40)56(50(42)32-34)45-21-9-3-15-37(45)38-16-4-10-22-46(38)56;1-53(2,3)31-25-27-33-39(29-31)40-30-32(54(4,5)6)26-28-34(40)48-47(33)57-49-50(58-48)52(38-20-16-24-44-46(38)36-18-12-14-22-42(36)56(44,9)10)59-51(49)37-19-15-23-43-45(37)35-17-11-13-21-41(35)55(43,7)8;55-25-19-39(57)49(40(58)20-25)63-27-15-17-29-30-18-16-28(64-50-41(59)21-26(56)22-42(50)60)24-38(30)46-45(37(29)23-27)61-47-48(62-46)54(36-12-6-10-34-32-8-2-4-14-44(32)66-52(34)36)67-53(47)35-11-5-9-33-31-7-1-3-13-43(31)65-51(33)35/h7-50H,1-6H3;2-37H,1H3;1-40H;1-32H;11-30H,1-10H3;1-24H
InChIKeyYYQUHUPLQOJWRR-UHFFFAOYSA-N
XLogP108.57
TPSA183.00 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms431
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005726.89
LogP ≤ 5108.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 5,10-bis(4-tert-butylphenyl)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine;5-[2,4-bis(trifluoromethyl)phenyl]-10-[4-methyl-2-(trifluoromethyl)phenyl]-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,10-ditert-butyl-17,19-bis(9,9-dimethylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;17,19-di(dibenzothiophen-4-yl)-4,11-bis(2,4,6-trifluorophenoxy)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;2,3-diphenyl-5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine with MolForge

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Related Compounds

2'-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole;9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 159358717
CID 159567743
CID 159567743
17,19-Bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-bis[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-bis(2-phenanthren-2-ylphenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-bis[2-(4-phenylphenyl)phenyl]-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4-[2-(2-methylphenyl)phenyl]-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-11-[2-[2-(trifluoromethyl)phenyl]phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
CID 160991121
2-Tert-butyl-1-benzothiophene;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-fluoronaphthalene;2-tert-butyl-1-fluoronaphthalene;7-tert-butyl-3-methoxyisoquinoline;6-tert-butyl-1-methoxynaphthalene;6-tert-butyl-2-methoxyquinoline;6-tert-butyl-1-methylindole;2-tert-butyl-1-methylnaphthalene;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;1-tert-butyl-2-phenylbenzene;4-tert-butyl-1-phenylpyrazole;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 161369268
17-(9,9-Dimethylfluoren-4-yl)-19-[9-[2-[4-[19-(9,9-dimethylfluoren-4-yl)-5,10-bis[2-(trifluoromethyl)phenoxy]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-17-yl]-9-methylfluoren-9-yl]ethyl]-9-methylfluoren-4-yl]-5,10-di(triphenylen-2-yloxy)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
CID 175633609
6,7-Difluoro-2-(3-hexoxyphenyl)-5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]-3-(3-methylphenyl)-8-[5-[6-(5-methylthiophen-2-yl)-3-pyridinyl]thiophen-2-yl]quinoxaline
CID 159323979
4,11-Bis(4-carbazol-9-ylphenoxy)-17,19-bis(9,9-diphenylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
CID 155466946
17-Dibenzothiophen-4-yl-19-[1-[[4-[19-(9,9-dimethylfluoren-4-yl)-5,10-dipropoxy-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-17-yl]-9-methylfluoren-9-yl]methyl]dibenzothiophen-4-yl]-5,10-dimethyl-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
CID 155466957
4-[4-[3-[1-[4-[[17,19-Bis(9,9-dimethylfluoren-4-yl)-11-(4-propylphenoxy)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-4-yl]oxy]phenyl]propyl]carbazol-9-yl]phenyl]-11-(4-carbazol-9-ylphenyl)-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
CID 155467004
17,19-Bis(9,9-dimethylfluoren-4-yl)-4,11-bis[(1-methylindol-2-yl)oxy]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
CID 155467204
3-Naphthalen-1-yl-7-[10-(1,10-phenanthrolin-5-yl)-15-phenyl-1-(4-phenylphenyl)-13-oxapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl]-2-(1-phenyl-13-oxapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 156106526
CID 156374640
CID 156374640

Frequently Asked Questions

What is the IUPAC name of 5,10-bis(4-tert-butylphenyl)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine;5-[2,4-bis(trifluoromethyl)phenyl]-10-[4-methyl-2-(trifluoromethyl)phenyl]-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,10-ditert-butyl-17,19-bis(9,9-dimethylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;17,19-di(dibenzothiophen-4-yl)-4,11-bis(2,4,6-trifluorophenoxy)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;2,3-diphenyl-5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine?
The IUPAC name of 5,10-bis(4-tert-butylphenyl)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine;5-[2,4-bis(trifluoromethyl)phenyl]-10-[4-methyl-2-(trifluoromethyl)phenyl]-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,10-ditert-butyl-17,19-bis(9,9-dimethylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;17,19-di(dibenzothiophen-4-yl)-4,11-bis(2,4,6-trifluorophenoxy)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;2,3-diphenyl-5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine (CID 162051928) is 5,10-bis(4-tert-butylphenyl)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine;5-[2,4-bis(trifluoromethyl)phenyl]-10-[4-methyl-2-(trifluoromethyl)phenyl]-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,10-ditert-butyl-17,19-bis(9,9-dimethylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;17,19-di(dibenzothiophen-4-yl)-4,11-bis(2,4,6-trifluorophenoxy)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;2,3-diphenyl-5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine.
What is the SMILES notation for 5,10-bis(4-tert-butylphenyl)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine;5-[2,4-bis(trifluoromethyl)phenyl]-10-[4-methyl-2-(trifluoromethyl)phenyl]-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,10-ditert-butyl-17,19-bis(9,9-dimethylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;17,19-di(dibenzothiophen-4-yl)-4,11-bis(2,4,6-trifluorophenoxy)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;2,3-diphenyl-5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine?
The canonical SMILES for 5,10-bis(4-tert-butylphenyl)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine;5-[2,4-bis(trifluoromethyl)phenyl]-10-[4-methyl-2-(trifluoromethyl)phenyl]-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,10-ditert-butyl-17,19-bis(9,9-dimethylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;17,19-di(dibenzothiophen-4-yl)-4,11-bis(2,4,6-trifluorophenoxy)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;2,3-diphenyl-5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine is CC(C)(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(C)(C)C)cc4)ccc2c2nc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)sc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4nc32)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1c1nc3c(-c4cccc5c4-c4ccccc4C5(C)C)sc(-c4cccc5c4-c4ccccc4C5(C)C)c3nc21.Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc2c2nc4c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)sc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4nc32)c(C(F)(F)F)c1.Fc1cc(F)c(Oc2ccc3c4ccc(Oc5c(F)cc(F)cc5F)cc4c4nc5c(-c6cccc7c6sc6ccccc67)sc(-c6cccc7c6sc6ccccc67)c5nc4c3c2)c(F)c1.c1ccc(-c2nc3c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)sc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3nc2-c2ccccc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3sc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4nccnc34)cc21.
What is the InChIKey of 5,10-bis(4-tert-butylphenyl)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine;5-[2,4-bis(trifluoromethyl)phenyl]-10-[4-methyl-2-(trifluoromethyl)phenyl]-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,10-ditert-butyl-17,19-bis(9,9-dimethylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;17,19-di(dibenzothiophen-4-yl)-4,11-bis(2,4,6-trifluorophenoxy)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;2,3-diphenyl-5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine?
The InChIKey is YYQUHUPLQOJWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H62N2S.C70H39F9N4S.C68H40N2S.C56H32N2S.C56H50N2S.C54H24F6N2O2S3/c1-85(2,3)55-43-37-51(38-44-55)53-41-47-61-67(49-53)68-50-54(52-39-45-56(46-40-52)86(4,5)6)42-48-62(68)80-79(61)89-81-82(90-80)84(66-28-20-36-76-78(66)64-26-12-18-34-74(64)88(76)71-31-15-9-23-59(71)60-24-10-16-32-72(60)88)91-83(81)65-27-19-35-75-77(65)63-25-11-17-33-73(63)87(75)69-29-13-7-21-57(69)58-22-8-14-30-70(58)87;1-38-20-26-46(56(32-38)69(74,75)76)39-21-29-52-54(33-39)55-34-40(47-31-25-43(68(71,72)73)37-57(47)70(77,78)79)22-30-53(55)63-62(52)80-64-65(81-63)67(42-24-28-51-49-17-9-11-19-59(49)83(61(51)36-42)45-14-6-3-7-15-45)84-66(64)41-23-27-50-48-16-8-10-18-58(48)82(60(50)35-41)44-12-4-2-5-13-44;1-3-19-41(20-4-1)61-62(42-21-5-2-6-22-42)70-64-63(69-61)65(43-35-37-51-49-27-11-17-33-57(49)67(59(51)39-43)53-29-13-7-23-45(53)46-24-8-14-30-54(46)67)71-66(64)44-36-38-52-50-28-12-18-34-58(50)68(60(52)40-44)55-31-15-9-25-47(55)48-26-10-16-32-56(48)68;1-7-19-43-35(13-1)36-14-2-8-20-44(36)55(43)47-23-11-5-17-39(47)41-27-25-33(31-49(41)55)53-51-52(58-30-29-57-51)54(59-53)34-26-28-42-40-18-6-12-24-48(40)56(50(42)32-34)45-21-9-3-15-37(45)38-16-4-10-22-46(38)56;1-53(2,3)31-25-27-33-39(29-31)40-30-32(54(4,5)6)26-28-34(40)48-47(33)57-49-50(58-48)52(38-20-16-24-44-46(38)36-18-12-14-22-42(36)56(44,9)10)59-51(49)37-19-15-23-43-45(37)35-17-11-13-21-41(35)55(43,7)8;55-25-19-39(57)49(40(58)20-25)63-27-15-17-29-30-18-16-28(64-50-41(59)21-26(56)22-42(50)60)24-38(30)46-45(37(29)23-27)61-47-48(62-46)54(36-12-6-10-34-32-8-2-4-14-44(32)66-52(34)36)67-53(47)35-11-5-9-33-31-7-1-3-13-43(31)65-51(33)35/h7-50H,1-6H3;2-37H,1H3;1-40H;1-32H;11-30H,1-10H3;1-24H.
What are the key properties of 5,10-bis(4-tert-butylphenyl)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine;5-[2,4-bis(trifluoromethyl)phenyl]-10-[4-methyl-2-(trifluoromethyl)phenyl]-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,10-ditert-butyl-17,19-bis(9,9-dimethylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;17,19-di(dibenzothiophen-4-yl)-4,11-bis(2,4,6-trifluorophenoxy)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;2,3-diphenyl-5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine?
5,10-bis(4-tert-butylphenyl)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine;5-[2,4-bis(trifluoromethyl)phenyl]-10-[4-methyl-2-(trifluoromethyl)phenyl]-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,10-ditert-butyl-17,19-bis(9,9-dimethylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;17,19-di(dibenzothiophen-4-yl)-4,11-bis(2,4,6-trifluorophenoxy)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;2,3-diphenyl-5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine has a molecular weight of 5726.89 g/mol, XLogP of 108.57, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis(4-tert-butylphenyl)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine;5-[2,4-bis(trifluoromethyl)phenyl]-10-[4-methyl-2-(trifluoromethyl)phenyl]-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,10-ditert-butyl-17,19-bis(9,9-dimethylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;17,19-di(dibenzothiophen-4-yl)-4,11-bis(2,4,6-trifluorophenoxy)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;2,3-diphenyl-5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine is sourced from PubChem (CID 162051928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).