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

C448H277F3N8O4S4 — CID 160991121

IUPAC17,19-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
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(C=C)cc5)cc4)c4ccccc4-c4c(-c5sc(-c6cccc7c6-c6ccccc6C7(c6ccc(Oc7ccc(C=C)cc7)cc6)c6ccc(Oc7ccc(C=C)cc7)cc6)c6nc7c8cc(-c9ccccc9-c9cccc%10c9-c9ccccc9C%109c%10ccccc%10-c%10ccccc%109)ccc8c8ccc(-c9ccccc9-c9cccc%10c9-c9ccccc9C%109c%10ccccc%10-c%10ccccc%109)cc8c7nc56)cccc43)cc2)cc1.CC1(C)c2ccccc2-c2c(-c3sc(-c4cccc5c4-c4ccccc4C5(C)C)c4nc5c6cc(-c7ccccc7-c7ccc8c(ccc9ccccc98)c7)ccc6c6ccc(-c7ccccc7-c7ccc8c(ccc9ccccc98)c7)cc6c5nc34)cccc21.Cc1ccccc1-c1ccccc1-c1ccc2c3ccc(-c4ccccc4-c4ccccc4C(F)(F)F)cc3c3nc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)sc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4nc3c2c1.c1ccc(-c2ccc(-c3ccccc3-c3ccc4c5ccc(-c6ccccc6-c6ccc(-c7ccccc7)cc6)cc5c5nc6c(-c7cccc8c7-c7ccccc7C87c8ccccc8-c8ccccc87)sc(-c7cccc8c7-c7ccccc7C87c8ccccc8-c8ccccc87)c6nc5c4c3)cc2)cc1
InChIInChI=1S/C162H102N2O4S.C104H62N2S.C94H55F3N2S.C88H58N2S/c1-5-99-61-79-109(80-62-99)165-113-87-71-105(72-88-113)159(106-73-89-114(90-74-106)166-110-81-63-100(6-2)64-82-110)141-53-25-17-41-129(141)151-133(47-31-57-145(151)159)157-155-156(158(169-157)134-48-32-58-146-152(134)130-42-18-26-54-142(130)160(146,107-75-91-115(92-76-107)167-111-83-65-101(7-3)66-84-111)108-77-93-116(94-78-108)168-112-85-67-102(8-4)68-86-112)164-154-136-98-104(118-34-10-12-36-120(118)128-46-30-60-148-150(128)132-44-20-28-56-144(132)162(148)139-51-23-15-39-125(139)126-40-16-24-52-140(126)162)70-96-122(136)121-95-69-103(97-135(121)153(154)163-155)117-33-9-11-35-119(117)127-45-29-59-147-149(127)131-43-19-27-55-143(131)161(147)137-49-21-13-37-123(137)124-38-14-22-50-138(124)161;1-3-25-63(26-4-1)65-49-53-67(54-50-65)71-29-7-9-31-73(71)69-57-59-75-76-60-58-70(74-32-10-8-30-72(74)68-55-51-66(52-56-68)64-27-5-2-6-28-64)62-86(76)98-97(85(75)61-69)105-99-100(106-98)102(84-40-24-48-94-96(84)82-38-16-22-46-92(82)104(94)89-43-19-13-35-79(89)80-36-14-20-44-90(80)104)107-101(99)83-39-23-47-93-95(83)81-37-15-21-45-91(81)103(93)87-41-17-11-33-77(87)78-34-12-18-42-88(78)103;1-54-24-2-3-25-57(54)60-28-6-4-26-58(60)55-48-50-62-63-51-49-56(59-27-5-7-29-61(59)64-30-12-21-45-81(64)94(95,96)97)53-74(63)87-86(73(62)52-55)98-88-89(99-87)91(72-38-23-47-83-85(72)70-36-14-20-44-80(70)93(83)77-41-17-10-33-67(77)68-34-11-18-42-78(68)93)100-90(88)71-37-22-46-82-84(71)69-35-13-19-43-79(69)92(82)75-39-15-8-31-65(75)66-32-9-16-40-76(66)92;1-87(2)75-31-15-13-27-69(75)79-71(29-17-33-77(79)87)85-83-84(86(91-85)72-30-18-34-78-80(72)70-28-14-16-32-76(70)88(78,3)4)90-82-74-50-58(64-26-12-10-24-62(64)56-40-44-66-54(48-56)38-36-52-20-6-8-22-60(52)66)42-46-68(74)67-45-41-57(49-73(67)81(82)89-83)63-25-11-9-23-61(63)55-39-43-65-53(47-55)37-35-51-19-5-7-21-59(51)65/h5-98H,1-4H2;1-62H;2-53H,1H3;5-50H,1-4H3
InChIKeyTUQFELJPQHGGGK-UHFFFAOYSA-N
MW6021.46 g/mol
LogP119.03
Rot. Bonds42

About 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

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 (PubChem CID 160991121) has the molecular formula C448H277F3N8O4S4 and a molecular weight of 6021.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name17,19-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
PubChem CID160991121
Molecular FormulaC448H277F3N8O4S4
Molecular Weight6021.46 g/mol
Exact Mass6016.06
IUPAC Name17,19-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
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(C=C)cc5)cc4)c4ccccc4-c4c(-c5sc(-c6cccc7c6-c6ccccc6C7(c6ccc(Oc7ccc(C=C)cc7)cc6)c6ccc(Oc7ccc(C=C)cc7)cc6)c6nc7c8cc(-c9ccccc9-c9cccc%10c9-c9ccccc9C%109c%10ccccc%10-c%10ccccc%109)ccc8c8ccc(-c9ccccc9-c9cccc%10c9-c9ccccc9C%109c%10ccccc%10-c%10ccccc%109)cc8c7nc56)cccc43)cc2)cc1.CC1(C)c2ccccc2-c2c(-c3sc(-c4cccc5c4-c4ccccc4C5(C)C)c4nc5c6cc(-c7ccccc7-c7ccc8c(ccc9ccccc98)c7)ccc6c6ccc(-c7ccccc7-c7ccc8c(ccc9ccccc98)c7)cc6c5nc34)cccc21.Cc1ccccc1-c1ccccc1-c1ccc2c3ccc(-c4ccccc4-c4ccccc4C(F)(F)F)cc3c3nc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)sc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4nc3c2c1.c1ccc(-c2ccc(-c3ccccc3-c3ccc4c5ccc(-c6ccccc6-c6ccc(-c7ccccc7)cc6)cc5c5nc6c(-c7cccc8c7-c7ccccc7C87c8ccccc8-c8ccccc87)sc(-c7cccc8c7-c7ccccc7C87c8ccccc8-c8ccccc87)c6nc5c4c3)cc2)cc1
InChIInChI=1S/C162H102N2O4S.C104H62N2S.C94H55F3N2S.C88H58N2S/c1-5-99-61-79-109(80-62-99)165-113-87-71-105(72-88-113)159(106-73-89-114(90-74-106)166-110-81-63-100(6-2)64-82-110)141-53-25-17-41-129(141)151-133(47-31-57-145(151)159)157-155-156(158(169-157)134-48-32-58-146-152(134)130-42-18-26-54-142(130)160(146,107-75-91-115(92-76-107)167-111-83-65-101(7-3)66-84-111)108-77-93-116(94-78-108)168-112-85-67-102(8-4)68-86-112)164-154-136-98-104(118-34-10-12-36-120(118)128-46-30-60-148-150(128)132-44-20-28-56-144(132)162(148)139-51-23-15-39-125(139)126-40-16-24-52-140(126)162)70-96-122(136)121-95-69-103(97-135(121)153(154)163-155)117-33-9-11-35-119(117)127-45-29-59-147-149(127)131-43-19-27-55-143(131)161(147)137-49-21-13-37-123(137)124-38-14-22-50-138(124)161;1-3-25-63(26-4-1)65-49-53-67(54-50-65)71-29-7-9-31-73(71)69-57-59-75-76-60-58-70(74-32-10-8-30-72(74)68-55-51-66(52-56-68)64-27-5-2-6-28-64)62-86(76)98-97(85(75)61-69)105-99-100(106-98)102(84-40-24-48-94-96(84)82-38-16-22-46-92(82)104(94)89-43-19-13-35-79(89)80-36-14-20-44-90(80)104)107-101(99)83-39-23-47-93-95(83)81-37-15-21-45-91(81)103(93)87-41-17-11-33-77(87)78-34-12-18-42-88(78)103;1-54-24-2-3-25-57(54)60-28-6-4-26-58(60)55-48-50-62-63-51-49-56(59-27-5-7-29-61(59)64-30-12-21-45-81(64)94(95,96)97)53-74(63)87-86(73(62)52-55)98-88-89(99-87)91(72-38-23-47-83-85(72)70-36-14-20-44-80(70)93(83)77-41-17-10-33-67(77)68-34-11-18-42-78(68)93)100-90(88)71-37-22-46-82-84(71)69-35-13-19-43-79(69)92(82)75-39-15-8-31-65(75)66-32-9-16-40-76(66)92;1-87(2)75-31-15-13-27-69(75)79-71(29-17-33-77(79)87)85-83-84(86(91-85)72-30-18-34-78-80(72)70-28-14-16-32-76(70)88(78,3)4)90-82-74-50-58(64-26-12-10-24-62(64)56-40-44-66-54(48-56)38-36-52-20-6-8-22-60(52)66)42-46-68(74)67-45-41-57(49-73(67)81(82)89-83)63-25-11-9-23-61(63)55-39-43-65-53(47-55)37-35-51-19-5-7-21-59(51)65/h5-98H,1-4H2;1-62H;2-53H,1H3;5-50H,1-4H3
InChIKeyTUQFELJPQHGGGK-UHFFFAOYSA-N
XLogP119.03
TPSA140.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds42
Heavy Atoms467
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006021.46
LogP ≤ 5119.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

17,19-Bis[9,9-bis(4-methoxyphenyl)fluoren-4-yl]-5,10-bis[2,4-bis(trifluoromethyl)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 155466919
17,19-Bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-5,10-bis(4-fluorophenyl)-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 155466926
17,19-Bis(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-decaene
CID 155467331
17,19-Bis[9,9-bis(4-methoxyphenyl)fluoren-4-yl]-4,11-bis(2-fluorophenyl)-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 155467434
17,19-Bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-5,10-bis(4-fluorophenyl)-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-[17,19-bis[9,9-bis(4-methoxyphenyl)fluoren-4-yl]-10-(4-carboxyphenyl)-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-5-yl]benzoic acid;17,19-bis(9,9-dimethylfluoren-2-yl)-5-(4-methylphenyl)-10-[4-(trifluoromethyl)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;5,10-bis(2-fluorophenyl)-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 157542637
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;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 158163805
17,19-Bis[9,9-bis(4-methoxyphenyl)fluoren-4-yl]-5-(2,4-dimethylphenyl)-10-[2-methyl-4-(trifluoromethyl)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)-5-(4-methylphenyl)-10-[4-(trifluoromethyl)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-di(dibenzofuran-4-yl)-5-(4-methylphenyl)-10-[4-(trifluoromethyl)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;methyl 2-[17,19-di(dibenzothiophen-2-yl)-10-(2-methoxycarbonylphenyl)-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-5-yl]benzoate
CID 158288058
17,19-Bis[9,9-bis(4-methoxyphenyl)fluoren-4-yl]-5-(2,4-dimethylphenyl)-10-[2-methyl-4-(trifluoromethyl)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 158288060
17,19-Bis(9,9-diphenylfluoren-4-yl)-5,10-bis(2,4,6-trifluorophenyl)-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)-5,10-bis(2,4-difluorophenyl)-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;methyl 4-[17,19-bis[9,9-bis(4-methoxyphenyl)fluoren-4-yl]-10-(4-methoxycarbonylphenyl)-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-5-yl]benzoate;5-[3-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-10-[3-[4-methyl-2-(trifluoromethyl)phenyl]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
CID 158842005
CID 159567743
CID 159567743
17,19-Bis(9,9-dimethylfluoren-4-yl)-5-(2-methylphenoxy)-10-[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-decaene
CID 159567744
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(C=C)cc5)cc4)c4ccccc4-c4c(-c5sc(-c6cccc7c6-c6ccccc6C7(c6ccc(Oc7ccc(C=C)cc7)cc6)c6ccc(Oc7ccc(C=C)cc7)cc6)c6nc7c8cc(-c9ccccc9-c9cccc%10c9-c9ccccc9C%109c%10ccccc%10-c%10ccccc%109)ccc8c8ccc(-c9ccccc9-c9cccc%10c9-c9ccccc9C%109c%10ccccc%10-c%10ccccc%109)cc8c7nc56)cccc43)cc2)cc1.CC1(C)c2ccccc2-c2c(-c3sc(-c4cccc5c4-c4ccccc4C5(C)C)c4nc5c6cc(-c7ccccc7-c7ccc8c(ccc9ccccc98)c7)ccc6c6ccc(-c7ccccc7-c7ccc8c(ccc9ccccc98)c7)cc6c5nc34)cccc21.Cc1ccccc1-c1ccccc1-c1ccc2c3ccc(-c4ccccc4-c4ccccc4C(F)(F)F)cc3c3nc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)sc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4nc3c2c1.c1ccc(-c2ccc(-c3ccccc3-c3ccc4c5ccc(-c6ccccc6-c6ccc(-c7ccccc7)cc6)cc5c5nc6c(-c7cccc8c7-c7ccccc7C87c8ccccc8-c8ccccc87)sc(-c7cccc8c7-c7ccccc7C87c8ccccc8-c8ccccc87)c6nc5c4c3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is TUQFELJPQHGGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C162H102N2O4S.C104H62N2S.C94H55F3N2S.C88H58N2S/c1-5-99-61-79-109(80-62-99)165-113-87-71-105(72-88-113)159(106-73-89-114(90-74-106)166-110-81-63-100(6-2)64-82-110)141-53-25-17-41-129(141)151-133(47-31-57-145(151)159)157-155-156(158(169-157)134-48-32-58-146-152(134)130-42-18-26-54-142(130)160(146,107-75-91-115(92-76-107)167-111-83-65-101(7-3)66-84-111)108-77-93-116(94-78-108)168-112-85-67-102(8-4)68-86-112)164-154-136-98-104(118-34-10-12-36-120(118)128-46-30-60-148-150(128)132-44-20-28-56-144(132)162(148)139-51-23-15-39-125(139)126-40-16-24-52-140(126)162)70-96-122(136)121-95-69-103(97-135(121)153(154)163-155)117-33-9-11-35-119(117)127-45-29-59-147-149(127)131-43-19-27-55-143(131)161(147)137-49-21-13-37-123(137)124-38-14-22-50-138(124)161;1-3-25-63(26-4-1)65-49-53-67(54-50-65)71-29-7-9-31-73(71)69-57-59-75-76-60-58-70(74-32-10-8-30-72(74)68-55-51-66(52-56-68)64-27-5-2-6-28-64)62-86(76)98-97(85(75)61-69)105-99-100(106-98)102(84-40-24-48-94-96(84)82-38-16-22-46-92(82)104(94)89-43-19-13-35-79(89)80-36-14-20-44-90(80)104)107-101(99)83-39-23-47-93-95(83)81-37-15-21-45-91(81)103(93)87-41-17-11-33-77(87)78-34-12-18-42-88(78)103;1-54-24-2-3-25-57(54)60-28-6-4-26-58(60)55-48-50-62-63-51-49-56(59-27-5-7-29-61(59)64-30-12-21-45-81(64)94(95,96)97)53-74(63)87-86(73(62)52-55)98-88-89(99-87)91(72-38-23-47-83-85(72)70-36-14-20-44-80(70)93(83)77-41-17-10-33-67(77)68-34-11-18-42-78(68)93)100-90(88)71-37-22-46-82-84(71)69-35-13-19-43-79(69)92(82)75-39-15-8-31-65(75)66-32-9-16-40-76(66)92;1-87(2)75-31-15-13-27-69(75)79-71(29-17-33-77(79)87)85-83-84(86(91-85)72-30-18-34-78-80(72)70-28-14-16-32-76(70)88(78,3)4)90-82-74-50-58(64-26-12-10-24-62(64)56-40-44-66-54(48-56)38-36-52-20-6-8-22-60(52)66)42-46-68(74)67-45-41-57(49-73(67)81(82)89-83)63-25-11-9-23-61(63)55-39-43-65-53(47-55)37-35-51-19-5-7-21-59(51)65/h5-98H,1-4H2;1-62H;2-53H,1H3;5-50H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 6021.46 g/mol, XLogP of 119.03, 42 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160991121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).