17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-5,10-di(propan-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;17,19-bis(9,9-dimethylfluoren-4-yl)-5,10-bis(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-decaene;5,10-ditert-butyl-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;5,10-ditert-butyl-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;17,19-di(dibenzofuran-1-yl)-5,10-di(propan-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-diethyl-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

C430H318N14O8S6 — CID 160626848

About 17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-5,10-di(propan-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;17,19-bis(9,9-dimethylfluoren-4-yl)-5,10-bis(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-decaene;5,10-ditert-butyl-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;5,10-ditert-butyl-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;17,19-di(dibenzofuran-1-yl)-5,10-di(propan-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-diethyl-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

17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-5,10-di(propan-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;17,19-bis(9,9-dimethylfluoren-4-yl)-5,10-bis(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-decaene;5,10-ditert-butyl-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;5,10-ditert-butyl-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;17,19-di(dibenzofuran-1-yl)-5,10-di(propan-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-diethyl-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 (PubChem CID 160626848) has the molecular formula C430H318N14O8S6 and a molecular weight of 6001.77 g/mol. Its IUPAC name is 17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-5,10-di(propan-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;17,19-bis(9,9-dimethylfluoren-4-yl)-5,10-bis(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-decaene;5,10-ditert-butyl-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;5,10-ditert-butyl-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;17,19-di(dibenzofuran-1-yl)-5,10-di(propan-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-diethyl-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.

Molecular Properties

• Compound Name: 17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-5,10-di(propan-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;17,19-bis(9,9-dimethylfluoren-4-yl)-5,10-bis(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-decaene;5,10-ditert-butyl-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;5,10-ditert-butyl-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;17,19-di(dibenzofuran-1-yl)-5,10-di(propan-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-diethyl-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
• PubChem CID: 160626848
• Molecular Formula: C430H318N14O8S6
• Molecular Weight: 6001.77 g/mol
• Exact Mass: 5996.32
• IUPAC Name: 17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-5,10-di(propan-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;17,19-bis(9,9-dimethylfluoren-4-yl)-5,10-bis(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-decaene;5,10-ditert-butyl-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;5,10-ditert-butyl-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;17,19-di(dibenzofuran-1-yl)-5,10-di(propan-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-diethyl-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
• SMILES: 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)c6nc7c8ccc(C(C)C)cc8c8cc(C(C)C)ccc8c7nc56)cccc43)cc2)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1c1nc3c(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)sc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3nc21.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1c1nc3c(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)sc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3nc21.CC(C)c1ccc2c(c1)c1cc(C(C)C)ccc1c1nc3c(-c4cccc5oc6ccccc6c45)sc(-c4cccc5oc6ccccc6c45)c3nc21.CCCc1ccc(Oc2ccc3c(c2)c2cc(Oc4ccc(CCC)cc4)ccc2c2nc4c(-c5cccc6c5-c5ccccc5C6(C)C)sc(-c5cccc6c5-c5ccccc5C6(C)C)c4nc32)cc1.CCc1ccc2c(c1)c1cc(CC)ccc1c1nc3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)sc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3nc21
• InChI: InChI=1S/C106H78N2O4S.C76H54N2S.C76H58N2S.C66H54N2O2S.C58H40N4S.C48H34N2O2S/c1-9-67-27-45-77(46-28-67)109-81-53-37-73(38-54-81)105(74-39-55-82(56-40-74)110-78-47-29-68(10-2)30-48-78)93-23-15-13-19-87(93)97-89(21-17-25-95(97)105)103-101-102(108-100-86-62-36-72(66(7)8)64-92(86)91-63-71(65(5)6)35-61-85(91)99(100)107-101)104(113-103)90-22-18-26-96-98(90)88-20-14-16-24-94(88)106(96,75-41-57-83(58-42-75)111-79-49-31-69(11-3)32-50-79)76-43-59-84(60-44-76)112-80-51-33-70(12-4)34-52-80;1-73(2,3)43-37-39-49-55(41-43)56-42-44(74(4,5)6)38-40-50(56)68-67(49)77-69-70(78-68)72(54-28-20-36-64-66(54)52-26-12-18-34-62(52)76(64)59-31-15-9-23-47(59)48-24-10-16-32-60(48)76)79-71(69)53-27-19-35-63-65(53)51-25-11-17-33-61(51)75(63)57-29-13-7-21-45(57)46-22-8-14-30-58(46)75;1-73(2,3)51-41-43-53-59(45-51)60-46-52(74(4,5)6)42-44-54(60)68-67(53)77-69-70(78-68)72(58-36-24-40-64-66(58)56-34-20-22-38-62(56)76(64,49-29-15-9-16-30-49)50-31-17-10-18-32-50)79-71(69)57-35-23-39-63-65(57)55-33-19-21-37-61(55)75(63,47-25-11-7-12-26-47)48-27-13-8-14-28-48;1-7-15-39-25-29-41(30-26-39)69-43-33-35-45-51(37-43)52-38-44(70-42-31-27-40(16-8-2)28-32-42)34-36-46(52)60-59(45)67-61-62(68-60)64(50-20-14-24-56-58(50)48-18-10-12-22-54(48)66(56,5)6)71-63(61)49-19-13-23-55-57(49)47-17-9-11-21-53(47)65(55,3)4;1-3-35-23-27-45-47(31-35)48-32-36(4-2)24-28-46(48)54-53(45)59-55-56(60-54)58(38-26-30-44-42-20-12-14-22-50(42)62(52(44)34-38)40-17-9-6-10-18-40)63-57(55)37-25-29-43-41-19-11-13-21-49(41)61(51(43)33-37)39-15-7-5-8-16-39;1-25(2)27-19-21-29-35(23-27)36-24-28(26(3)4)20-22-30(36)44-43(29)49-45-46(50-44)48(34-14-10-18-40-42(34)32-12-6-8-16-38(32)52-40)53-47(45)33-13-9-17-39-41(33)31-11-5-7-15-37(31)51-39/h9-66H,1-4H2,5-8H3;7-42H,1-6H3;7-46H,1-6H3;9-14,17-38H,7-8,15-16H2,1-6H3;5-34H,3-4H2,1-2H3;5-26H,1-4H3
• InChIKey: RHKKPBHXWFGEFA-UHFFFAOYSA-N
• XLogP: 117.69
• TPSA: 246.20 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 48
• Heavy Atoms: 458
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	6001.77
LogP ≤ 5	117.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-5,10-di(propan-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;17,19-bis(9,9-dimethylfluoren-4-yl)-5,10-bis(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-decaene;5,10-ditert-butyl-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;5,10-ditert-butyl-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;17,19-di(dibenzofuran-1-yl)-5,10-di(propan-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-diethyl-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?

The IUPAC name of 17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-5,10-di(propan-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;17,19-bis(9,9-dimethylfluoren-4-yl)-5,10-bis(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-decaene;5,10-ditert-butyl-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;5,10-ditert-butyl-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;17,19-di(dibenzofuran-1-yl)-5,10-di(propan-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-diethyl-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 160626848) is 17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-5,10-di(propan-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;17,19-bis(9,9-dimethylfluoren-4-yl)-5,10-bis(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-decaene;5,10-ditert-butyl-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;5,10-ditert-butyl-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;17,19-di(dibenzofuran-1-yl)-5,10-di(propan-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-diethyl-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.

What is the SMILES notation for 17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-5,10-di(propan-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;17,19-bis(9,9-dimethylfluoren-4-yl)-5,10-bis(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-decaene;5,10-ditert-butyl-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;5,10-ditert-butyl-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;17,19-di(dibenzofuran-1-yl)-5,10-di(propan-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-diethyl-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?

The canonical SMILES for 17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-5,10-di(propan-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;17,19-bis(9,9-dimethylfluoren-4-yl)-5,10-bis(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-decaene;5,10-ditert-butyl-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;5,10-ditert-butyl-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;17,19-di(dibenzofuran-1-yl)-5,10-di(propan-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-diethyl-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 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)c6nc7c8ccc(C(C)C)cc8c8cc(C(C)C)ccc8c7nc56)cccc43)cc2)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1c1nc3c(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)sc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3nc21.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1c1nc3c(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)sc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3nc21.CC(C)c1ccc2c(c1)c1cc(C(C)C)ccc1c1nc3c(-c4cccc5oc6ccccc6c45)sc(-c4cccc5oc6ccccc6c45)c3nc21.CCCc1ccc(Oc2ccc3c(c2)c2cc(Oc4ccc(CCC)cc4)ccc2c2nc4c(-c5cccc6c5-c5ccccc5C6(C)C)sc(-c5cccc6c5-c5ccccc5C6(C)C)c4nc32)cc1.CCc1ccc2c(c1)c1cc(CC)ccc1c1nc3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)sc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3nc21.

What is the InChIKey of 17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-5,10-di(propan-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;17,19-bis(9,9-dimethylfluoren-4-yl)-5,10-bis(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-decaene;5,10-ditert-butyl-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;5,10-ditert-butyl-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;17,19-di(dibenzofuran-1-yl)-5,10-di(propan-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-diethyl-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?

The InChIKey is RHKKPBHXWFGEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H78N2O4S.C76H54N2S.C76H58N2S.C66H54N2O2S.C58H40N4S.C48H34N2O2S/c1-9-67-27-45-77(46-28-67)109-81-53-37-73(38-54-81)105(74-39-55-82(56-40-74)110-78-47-29-68(10-2)30-48-78)93-23-15-13-19-87(93)97-89(21-17-25-95(97)105)103-101-102(108-100-86-62-36-72(66(7)8)64-92(86)91-63-71(65(5)6)35-61-85(91)99(100)107-101)104(113-103)90-22-18-26-96-98(90)88-20-14-16-24-94(88)106(96,75-41-57-83(58-42-75)111-79-49-31-69(11-3)32-50-79)76-43-59-84(60-44-76)112-80-51-33-70(12-4)34-52-80;1-73(2,3)43-37-39-49-55(41-43)56-42-44(74(4,5)6)38-40-50(56)68-67(49)77-69-70(78-68)72(54-28-20-36-64-66(54)52-26-12-18-34-62(52)76(64)59-31-15-9-23-47(59)48-24-10-16-32-60(48)76)79-71(69)53-27-19-35-63-65(53)51-25-11-17-33-61(51)75(63)57-29-13-7-21-45(57)46-22-8-14-30-58(46)75;1-73(2,3)51-41-43-53-59(45-51)60-46-52(74(4,5)6)42-44-54(60)68-67(53)77-69-70(78-68)72(58-36-24-40-64-66(58)56-34-20-22-38-62(56)76(64,49-29-15-9-16-30-49)50-31-17-10-18-32-50)79-71(69)57-35-23-39-63-65(57)55-33-19-21-37-61(55)75(63,47-25-11-7-12-26-47)48-27-13-8-14-28-48;1-7-15-39-25-29-41(30-26-39)69-43-33-35-45-51(37-43)52-38-44(70-42-31-27-40(16-8-2)28-32-42)34-36-46(52)60-59(45)67-61-62(68-60)64(50-20-14-24-56-58(50)48-18-10-12-22-54(48)66(56,5)6)71-63(61)49-19-13-23-55-57(49)47-17-9-11-21-53(47)65(55,3)4;1-3-35-23-27-45-47(31-35)48-32-36(4-2)24-28-46(48)54-53(45)59-55-56(60-54)58(38-26-30-44-42-20-12-14-22-50(42)62(52(44)34-38)40-17-9-6-10-18-40)63-57(55)37-25-29-43-41-19-11-13-21-49(41)61(51(43)33-37)39-15-7-5-8-16-39;1-25(2)27-19-21-29-35(23-27)36-24-28(26(3)4)20-22-30(36)44-43(29)49-45-46(50-44)48(34-14-10-18-40-42(34)32-12-6-8-16-38(32)52-40)53-47(45)33-13-9-17-39-41(33)31-11-5-7-15-37(31)51-39/h9-66H,1-4H2,5-8H3;7-42H,1-6H3;7-46H,1-6H3;9-14,17-38H,7-8,15-16H2,1-6H3;5-34H,3-4H2,1-2H3;5-26H,1-4H3.

What are the key properties of 17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-5,10-di(propan-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;17,19-bis(9,9-dimethylfluoren-4-yl)-5,10-bis(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-decaene;5,10-ditert-butyl-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;5,10-ditert-butyl-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;17,19-di(dibenzofuran-1-yl)-5,10-di(propan-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-diethyl-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?

17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-5,10-di(propan-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;17,19-bis(9,9-dimethylfluoren-4-yl)-5,10-bis(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-decaene;5,10-ditert-butyl-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;5,10-ditert-butyl-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;17,19-di(dibenzofuran-1-yl)-5,10-di(propan-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-diethyl-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 has a molecular weight of 6001.77 g/mol, XLogP of 117.69, 48 rotatable bonds, 0 hydrogen bond donors, and 28 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]-5,10-di(propan-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;17,19-bis(9,9-dimethylfluoren-4-yl)-5,10-bis(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-decaene;5,10-ditert-butyl-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;5,10-ditert-butyl-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;17,19-di(dibenzofuran-1-yl)-5,10-di(propan-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-diethyl-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 is sourced from PubChem (CID 160626848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).