ethyl 4-[17,19-di(dibenzofuran-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis(9,9-diphenylfluoren-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-[4-[(4-ethenylphenyl)methyl]phenyl]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;methyl 4-[10-(4-ethoxycarbonylphenyl)-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]benzoate

C348H228N8O20S4 — CID 158815437

About ethyl 4-[17,19-di(dibenzofuran-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis(9,9-diphenylfluoren-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-[4-[(4-ethenylphenyl)methyl]phenyl]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;methyl 4-[10-(4-ethoxycarbonylphenyl)-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]benzoate

ethyl 4-[17,19-di(dibenzofuran-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis(9,9-diphenylfluoren-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-[4-[(4-ethenylphenyl)methyl]phenyl]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;methyl 4-[10-(4-ethoxycarbonylphenyl)-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]benzoate (PubChem CID 158815437) has the molecular formula C348H228N8O20S4 and a molecular weight of 4969.96 g/mol. Its IUPAC name is ethyl 4-[17,19-di(dibenzofuran-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis(9,9-diphenylfluoren-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-[4-[(4-ethenylphenyl)methyl]phenyl]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;methyl 4-[10-(4-ethoxycarbonylphenyl)-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]benzoate.

Molecular Properties

• Compound Name: ethyl 4-[17,19-di(dibenzofuran-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis(9,9-diphenylfluoren-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-[4-[(4-ethenylphenyl)methyl]phenyl]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;methyl 4-[10-(4-ethoxycarbonylphenyl)-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]benzoate
• PubChem CID: 158815437
• Molecular Formula: C348H228N8O20S4
• Molecular Weight: 4969.96 g/mol
• Exact Mass: 4965.60
• IUPAC Name: ethyl 4-[17,19-di(dibenzofuran-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis(9,9-diphenylfluoren-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-[4-[(4-ethenylphenyl)methyl]phenyl]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;methyl 4-[10-(4-ethoxycarbonylphenyl)-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]benzoate
• SMILES: C=Cc1ccc(Cc2ccc(C3(c4ccc(Oc5ccc(C=C)cc5)cc4)c4ccccc4-c4c(-c5sc(-c6cccc7c6-c6ccccc6C7(c6ccc(Cc7ccc(C=C)cc7)cc6)c6ccc(Oc7ccc(C=C)cc7)cc6)c6nc7c8ccc(-c9ccc(C(=O)OC)cc9)cc8c8cc(-c9ccc(C(=O)OC)cc9)ccc8c7nc56)cccc43)cc2)cc1.CCOC(=O)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(=O)OC)cc4)ccc2c2nc4c(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)sc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c4nc32)cc1.CCOC(=O)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(=O)OC)cc4)ccc2c2nc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)sc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4nc32)cc1.CCOC(=O)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(=O)OCC)cc4)ccc2c2nc4c(-c5cccc6c5oc5ccccc56)sc(-c5cccc6c5oc5ccccc56)c4nc32)cc1
• InChI: InChI=1S/C118H82N2O6S.C85H52N2O4S.C85H56N2O4S.C60H38N2O6S/c1-7-73-25-29-77(30-26-73)69-79-33-51-87(52-34-79)117(89-55-63-93(64-56-89)125-91-59-37-75(9-3)38-60-91)103-21-13-11-17-97(103)107-99(19-15-23-105(107)117)113-111-112(120-110-96-68-50-86(82-43-47-84(48-44-82)116(122)124-6)72-102(96)101-71-85(49-67-95(101)109(110)119-111)81-41-45-83(46-42-81)115(121)123-5)114(127-113)100-20-16-24-106-108(100)98-18-12-14-22-104(98)118(106,88-53-35-80(36-54-88)70-78-31-27-74(8-2)28-32-78)90-57-65-94(66-58-90)126-92-61-39-76(10-4)40-62-92;1-3-91-83(89)51-40-36-49(37-41-51)53-43-45-59-65(47-53)64-46-52(48-34-38-50(39-35-48)82(88)90-2)42-44-58(64)76-77(59)87-79-78(86-76)80(62-24-16-32-72-74(62)60-22-8-14-30-70(60)84(72)66-26-10-4-18-54(66)55-19-5-11-27-67(55)84)92-81(79)63-25-17-33-73-75(63)61-23-9-15-31-71(61)85(73)68-28-12-6-20-56(68)57-21-7-13-29-69(57)85;1-3-91-83(89)55-44-40-53(41-45-55)57-47-49-63-69(51-57)68-50-56(52-38-42-54(43-39-52)82(88)90-2)46-48-62(68)76-77(63)87-79-78(86-76)80(66-32-20-36-72-74(66)64-30-16-18-34-70(64)84(72,58-22-8-4-9-23-58)59-24-10-5-11-25-59)92-81(79)67-33-21-37-73-75(67)65-31-17-19-35-71(65)85(73,60-26-12-6-13-27-60)61-28-14-7-15-29-61;1-3-65-59(63)35-23-19-33(20-24-35)37-27-29-41-47(31-37)48-32-38(34-21-25-36(26-22-34)60(64)66-4-2)28-30-42(48)52-51(41)61-53-54(62-52)58(46-16-10-14-44-40-12-6-8-18-50(40)68-56(44)46)69-57(53)45-15-9-13-43-39-11-5-7-17-49(39)67-55(43)45/h7-68,71-72H,1-4,69-70H2,5-6H3;4-47H,3H2,1-2H3;4-51H,3H2,1-2H3;5-32H,3-4H2,1-2H3
• InChIKey: IVFBFIIMJSGKSW-UHFFFAOYSA-N
• XLogP: 86.41
• TPSA: 358.26 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 48
• Heavy Atoms: 380
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4969.96
LogP ≤ 5	86.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[17,19-di(dibenzofuran-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis(9,9-diphenylfluoren-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-[4-[(4-ethenylphenyl)methyl]phenyl]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;methyl 4-[10-(4-ethoxycarbonylphenyl)-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]benzoate?

The IUPAC name of ethyl 4-[17,19-di(dibenzofuran-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis(9,9-diphenylfluoren-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-[4-[(4-ethenylphenyl)methyl]phenyl]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;methyl 4-[10-(4-ethoxycarbonylphenyl)-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]benzoate (CID 158815437) is ethyl 4-[17,19-di(dibenzofuran-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis(9,9-diphenylfluoren-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-[4-[(4-ethenylphenyl)methyl]phenyl]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;methyl 4-[10-(4-ethoxycarbonylphenyl)-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]benzoate.

What is the SMILES notation for ethyl 4-[17,19-di(dibenzofuran-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis(9,9-diphenylfluoren-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-[4-[(4-ethenylphenyl)methyl]phenyl]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;methyl 4-[10-(4-ethoxycarbonylphenyl)-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]benzoate?

The canonical SMILES for ethyl 4-[17,19-di(dibenzofuran-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis(9,9-diphenylfluoren-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-[4-[(4-ethenylphenyl)methyl]phenyl]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;methyl 4-[10-(4-ethoxycarbonylphenyl)-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]benzoate is C=Cc1ccc(Cc2ccc(C3(c4ccc(Oc5ccc(C=C)cc5)cc4)c4ccccc4-c4c(-c5sc(-c6cccc7c6-c6ccccc6C7(c6ccc(Cc7ccc(C=C)cc7)cc6)c6ccc(Oc7ccc(C=C)cc7)cc6)c6nc7c8ccc(-c9ccc(C(=O)OC)cc9)cc8c8cc(-c9ccc(C(=O)OC)cc9)ccc8c7nc56)cccc43)cc2)cc1.CCOC(=O)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(=O)OC)cc4)ccc2c2nc4c(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)sc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c4nc32)cc1.CCOC(=O)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(=O)OC)cc4)ccc2c2nc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)sc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4nc32)cc1.CCOC(=O)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(=O)OCC)cc4)ccc2c2nc4c(-c5cccc6c5oc5ccccc56)sc(-c5cccc6c5oc5ccccc56)c4nc32)cc1.

What is the InChIKey of ethyl 4-[17,19-di(dibenzofuran-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis(9,9-diphenylfluoren-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-[4-[(4-ethenylphenyl)methyl]phenyl]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;methyl 4-[10-(4-ethoxycarbonylphenyl)-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]benzoate?

The InChIKey is IVFBFIIMJSGKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H82N2O6S.C85H52N2O4S.C85H56N2O4S.C60H38N2O6S/c1-7-73-25-29-77(30-26-73)69-79-33-51-87(52-34-79)117(89-55-63-93(64-56-89)125-91-59-37-75(9-3)38-60-91)103-21-13-11-17-97(103)107-99(19-15-23-105(107)117)113-111-112(120-110-96-68-50-86(82-43-47-84(48-44-82)116(122)124-6)72-102(96)101-71-85(49-67-95(101)109(110)119-111)81-41-45-83(46-42-81)115(121)123-5)114(127-113)100-20-16-24-106-108(100)98-18-12-14-22-104(98)118(106,88-53-35-80(36-54-88)70-78-31-27-74(8-2)28-32-78)90-57-65-94(66-58-90)126-92-61-39-76(10-4)40-62-92;1-3-91-83(89)51-40-36-49(37-41-51)53-43-45-59-65(47-53)64-46-52(48-34-38-50(39-35-48)82(88)90-2)42-44-58(64)76-77(59)87-79-78(86-76)80(62-24-16-32-72-74(62)60-22-8-14-30-70(60)84(72)66-26-10-4-18-54(66)55-19-5-11-27-67(55)84)92-81(79)63-25-17-33-73-75(63)61-23-9-15-31-71(61)85(73)68-28-12-6-20-56(68)57-21-7-13-29-69(57)85;1-3-91-83(89)55-44-40-53(41-45-55)57-47-49-63-69(51-57)68-50-56(52-38-42-54(43-39-52)82(88)90-2)46-48-62(68)76-77(63)87-79-78(86-76)80(66-32-20-36-72-74(66)64-30-16-18-34-70(64)84(72,58-22-8-4-9-23-58)59-24-10-5-11-25-59)92-81(79)67-33-21-37-73-75(67)65-31-17-19-35-71(65)85(73,60-26-12-6-13-27-60)61-28-14-7-15-29-61;1-3-65-59(63)35-23-19-33(20-24-35)37-27-29-41-47(31-37)48-32-38(34-21-25-36(26-22-34)60(64)66-4-2)28-30-42(48)52-51(41)61-53-54(62-52)58(46-16-10-14-44-40-12-6-8-18-50(40)68-56(44)46)69-57(53)45-15-9-13-43-39-11-5-7-17-49(39)67-55(43)45/h7-68,71-72H,1-4,69-70H2,5-6H3;4-47H,3H2,1-2H3;4-51H,3H2,1-2H3;5-32H,3-4H2,1-2H3.

What are the key properties of ethyl 4-[17,19-di(dibenzofuran-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis(9,9-diphenylfluoren-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-[4-[(4-ethenylphenyl)methyl]phenyl]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;methyl 4-[10-(4-ethoxycarbonylphenyl)-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]benzoate?

ethyl 4-[17,19-di(dibenzofuran-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis(9,9-diphenylfluoren-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-[4-[(4-ethenylphenyl)methyl]phenyl]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;methyl 4-[10-(4-ethoxycarbonylphenyl)-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]benzoate has a molecular weight of 4969.96 g/mol, XLogP of 86.41, 48 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[17,19-di(dibenzofuran-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis(9,9-diphenylfluoren-4-yl)-10-(4-ethoxycarbonylphenyl)-18-thia-15,21-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;methyl 4-[17,19-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-[4-[(4-ethenylphenyl)methyl]phenyl]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;methyl 4-[10-(4-ethoxycarbonylphenyl)-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]benzoate is sourced from PubChem (CID 158815437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).