4-[17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]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;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-17,19-di(dibenzofuran-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-decaen-5-yl]benzoic acid

C396H242N10O26S5 — CID 159488369

About 4-[17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]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;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-17,19-di(dibenzofuran-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-decaen-5-yl]benzoic acid

4-[17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]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;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-17,19-di(dibenzofuran-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-decaen-5-yl]benzoic acid (PubChem CID 159488369) has the molecular formula C396H242N10O26S5 and a molecular weight of 5716.67 g/mol. Its IUPAC name is 4-[17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]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;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-17,19-di(dibenzofuran-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-decaen-5-yl]benzoic acid.

Molecular Properties

• Compound Name: 4-[17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]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;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-17,19-di(dibenzofuran-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-decaen-5-yl]benzoic acid
• PubChem CID: 159488369
• Molecular Formula: C396H242N10O26S5
• Molecular Weight: 5716.67 g/mol
• Exact Mass: 5711.65
• IUPAC Name: 4-[17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]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;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-17,19-di(dibenzofuran-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-decaen-5-yl]benzoic acid
• 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(-c9ccc(C(=O)O)cc9)cc8c8cc(-c9ccc(C(=O)O)cc9)ccc8c7nc56)cccc43)cc2)cc1.CC1(C)c2ccccc2-c2c(-c3sc(-c4cccc5c4-c4ccccc4C5(C)C)c4nc5c6ccc(-c7ccc(C(=O)O)cc7)cc6c6cc(-c7ccc(C(=O)O)cc7)ccc6c5nc34)cccc21.O=C(O)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(=O)O)cc4)ccc2c2nc4c(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)sc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c4nc32)cc1.O=C(O)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(=O)O)cc4)ccc2c2nc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)sc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4nc32)cc1.O=C(O)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(=O)O)cc4)ccc2c2nc4c(-c5cccc6c5oc5ccccc56)sc(-c5cccc6c5oc5ccccc56)c4nc32)cc1
• InChI: InChI=1S/C114H74N2O8S.C82H46N2O4S.C82H50N2O4S.C62H42N2O4S.C56H30N2O6S/c1-5-69-23-49-83(50-24-69)121-87-57-41-79(42-58-87)113(80-43-59-88(60-44-80)122-84-51-25-70(6-2)26-52-84)99-19-11-9-15-93(99)103-95(17-13-21-101(103)113)109-107-108(116-106-92-66-40-78(74-33-37-76(38-34-74)112(119)120)68-98(92)97-67-77(39-65-91(97)105(106)115-107)73-31-35-75(36-32-73)111(117)118)110(125-109)96-18-14-22-102-104(96)94-16-10-12-20-100(94)114(102,81-45-61-89(62-46-81)123-85-53-27-71(7-3)28-54-85)82-47-63-90(64-48-82)124-86-55-29-72(8-4)30-56-86;85-79(86)47-35-31-45(32-36-47)49-39-41-55-61(43-49)62-44-50(46-33-37-48(38-34-46)80(87)88)40-42-56(62)74-73(55)83-75-76(84-74)78(60-22-14-30-70-72(60)58-20-6-12-28-68(58)82(70)65-25-9-3-17-53(65)54-18-4-10-26-66(54)82)89-77(75)59-21-13-29-69-71(59)57-19-5-11-27-67(57)81(69)63-23-7-1-15-51(63)52-16-2-8-24-64(52)81;85-79(86)51-39-35-49(36-40-51)53-43-45-59-65(47-53)66-48-54(50-37-41-52(42-38-50)80(87)88)44-46-60(66)74-73(59)83-75-76(84-74)78(64-30-18-34-70-72(64)62-28-14-16-32-68(62)82(70,57-23-9-3-10-24-57)58-25-11-4-12-26-58)89-77(75)63-29-17-33-69-71(63)61-27-13-15-31-67(61)81(69,55-19-5-1-6-20-55)56-21-7-2-8-22-56;1-61(2)47-15-7-5-11-41(47)51-43(13-9-17-49(51)61)57-55-56(58(69-57)44-14-10-18-50-52(44)42-12-6-8-16-48(42)62(50,3)4)64-54-40-30-28-38(34-21-25-36(26-22-34)60(67)68)32-46(40)45-31-37(27-29-39(45)53(54)63-55)33-19-23-35(24-20-33)59(65)66;59-55(60)31-19-15-29(16-20-31)33-23-25-37-43(27-33)44-28-34(30-17-21-32(22-18-30)56(61)62)24-26-38(44)48-47(37)57-49-50(58-48)54(42-12-6-10-40-36-8-2-4-14-46(36)64-52(40)42)65-53(49)41-11-5-9-39-35-7-1-3-13-45(35)63-51(39)41/h5-68H,1-4H2,(H,117,118)(H,119,120);1-44H,(H,85,86)(H,87,88);1-48H,(H,85,86)(H,87,88);5-32H,1-4H3,(H,65,66)(H,67,68);1-28H,(H,59,60)(H,61,62)
• InChIKey: LXWFTULBFLUHDO-UHFFFAOYSA-N
• XLogP: 100.37
• TPSA: 565.10 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 50
• Heavy Atoms: 437
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5716.67
LogP ≤ 5	100.37
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 4-[17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]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;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-17,19-di(dibenzofuran-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-decaen-5-yl]benzoic acid?

The IUPAC name of 4-[17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]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;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-17,19-di(dibenzofuran-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-decaen-5-yl]benzoic acid (CID 159488369) is 4-[17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]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;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-17,19-di(dibenzofuran-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-decaen-5-yl]benzoic acid.

What is the SMILES notation for 4-[17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]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;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-17,19-di(dibenzofuran-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-decaen-5-yl]benzoic acid?

The canonical SMILES for 4-[17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]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;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-17,19-di(dibenzofuran-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-decaen-5-yl]benzoic acid 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(-c9ccc(C(=O)O)cc9)cc8c8cc(-c9ccc(C(=O)O)cc9)ccc8c7nc56)cccc43)cc2)cc1.CC1(C)c2ccccc2-c2c(-c3sc(-c4cccc5c4-c4ccccc4C5(C)C)c4nc5c6ccc(-c7ccc(C(=O)O)cc7)cc6c6cc(-c7ccc(C(=O)O)cc7)ccc6c5nc34)cccc21.O=C(O)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(=O)O)cc4)ccc2c2nc4c(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)sc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c4nc32)cc1.O=C(O)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(=O)O)cc4)ccc2c2nc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)sc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4nc32)cc1.O=C(O)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(=O)O)cc4)ccc2c2nc4c(-c5cccc6c5oc5ccccc56)sc(-c5cccc6c5oc5ccccc56)c4nc32)cc1.

What is the InChIKey of 4-[17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]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;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-17,19-di(dibenzofuran-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-decaen-5-yl]benzoic acid?

The InChIKey is LXWFTULBFLUHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H74N2O8S.C82H46N2O4S.C82H50N2O4S.C62H42N2O4S.C56H30N2O6S/c1-5-69-23-49-83(50-24-69)121-87-57-41-79(42-58-87)113(80-43-59-88(60-44-80)122-84-51-25-70(6-2)26-52-84)99-19-11-9-15-93(99)103-95(17-13-21-101(103)113)109-107-108(116-106-92-66-40-78(74-33-37-76(38-34-74)112(119)120)68-98(92)97-67-77(39-65-91(97)105(106)115-107)73-31-35-75(36-32-73)111(117)118)110(125-109)96-18-14-22-102-104(96)94-16-10-12-20-100(94)114(102,81-45-61-89(62-46-81)123-85-53-27-71(7-3)28-54-85)82-47-63-90(64-48-82)124-86-55-29-72(8-4)30-56-86;85-79(86)47-35-31-45(32-36-47)49-39-41-55-61(43-49)62-44-50(46-33-37-48(38-34-46)80(87)88)40-42-56(62)74-73(55)83-75-76(84-74)78(60-22-14-30-70-72(60)58-20-6-12-28-68(58)82(70)65-25-9-3-17-53(65)54-18-4-10-26-66(54)82)89-77(75)59-21-13-29-69-71(59)57-19-5-11-27-67(57)81(69)63-23-7-1-15-51(63)52-16-2-8-24-64(52)81;85-79(86)51-39-35-49(36-40-51)53-43-45-59-65(47-53)66-48-54(50-37-41-52(42-38-50)80(87)88)44-46-60(66)74-73(59)83-75-76(84-74)78(64-30-18-34-70-72(64)62-28-14-16-32-68(62)82(70,57-23-9-3-10-24-57)58-25-11-4-12-26-58)89-77(75)63-29-17-33-69-71(63)61-27-13-15-31-67(61)81(69,55-19-5-1-6-20-55)56-21-7-2-8-22-56;1-61(2)47-15-7-5-11-41(47)51-43(13-9-17-49(51)61)57-55-56(58(69-57)44-14-10-18-50-52(44)42-12-6-8-16-48(42)62(50,3)4)64-54-40-30-28-38(34-21-25-36(26-22-34)60(67)68)32-46(40)45-31-37(27-29-39(45)53(54)63-55)33-19-23-35(24-20-33)59(65)66;59-55(60)31-19-15-29(16-20-31)33-23-25-37-43(27-33)44-28-34(30-17-21-32(22-18-30)56(61)62)24-26-38(44)48-47(37)57-49-50(58-48)54(42-12-6-10-40-36-8-2-4-14-46(36)64-52(40)42)65-53(49)41-11-5-9-39-35-7-1-3-13-45(35)63-51(39)41/h5-68H,1-4H2,(H,117,118)(H,119,120);1-44H,(H,85,86)(H,87,88);1-48H,(H,85,86)(H,87,88);5-32H,1-4H3,(H,65,66)(H,67,68);1-28H,(H,59,60)(H,61,62).

What are the key properties of 4-[17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]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;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-17,19-di(dibenzofuran-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-decaen-5-yl]benzoic acid?

4-[17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]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;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-17,19-di(dibenzofuran-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-decaen-5-yl]benzoic acid has a molecular weight of 5716.67 g/mol, XLogP of 100.37, 50 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]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;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-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-decaen-5-yl]benzoic acid;4-[10-(4-carboxyphenyl)-17,19-di(dibenzofuran-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-decaen-5-yl]benzoic acid is sourced from PubChem (CID 159488369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).