5-N,21-N-bis(4-tert-butyl-2-pyridinyl)-5-N,21-N-di(dibenzofuran-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;N-dibenzothiophen-4-yl-N-phenyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;5-N,21-N-di(dibenzofuran-2-yl)-5-N,21-N-di(dibenzothiophen-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine

C338H209N21O6S10 — CID 160648573

About 5-N,21-N-bis(4-tert-butyl-2-pyridinyl)-5-N,21-N-di(dibenzofuran-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;N-dibenzothiophen-4-yl-N-phenyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;5-N,21-N-di(dibenzofuran-2-yl)-5-N,21-N-di(dibenzothiophen-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine

5-N,21-N-bis(4-tert-butyl-2-pyridinyl)-5-N,21-N-di(dibenzofuran-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;N-dibenzothiophen-4-yl-N-phenyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;5-N,21-N-di(dibenzofuran-2-yl)-5-N,21-N-di(dibenzothiophen-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine (PubChem CID 160648573) has the molecular formula C338H209N21O6S10 and a molecular weight of 4981.20 g/mol. Its IUPAC name is 5-N,21-N-bis(4-tert-butyl-2-pyridinyl)-5-N,21-N-di(dibenzofuran-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;N-dibenzothiophen-4-yl-N-phenyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;5-N,21-N-di(dibenzofuran-2-yl)-5-N,21-N-di(dibenzothiophen-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine.

Molecular Properties

• Compound Name: 5-N,21-N-bis(4-tert-butyl-2-pyridinyl)-5-N,21-N-di(dibenzofuran-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;N-dibenzothiophen-4-yl-N-phenyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;5-N,21-N-di(dibenzofuran-2-yl)-5-N,21-N-di(dibenzothiophen-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine
• PubChem CID: 160648573
• Molecular Formula: C338H209N21O6S10
• Molecular Weight: 4981.20 g/mol
• Exact Mass: 4976.39
• IUPAC Name: 5-N,21-N-bis(4-tert-butyl-2-pyridinyl)-5-N,21-N-di(dibenzofuran-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;N-dibenzothiophen-4-yl-N-phenyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;5-N,21-N-di(dibenzofuran-2-yl)-5-N,21-N-di(dibenzothiophen-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine
• SMILES: CC(C)(C)c1ccnc(N(c2ccc3oc4ccccc4c3c2)c2ccc3c(c2)c2ccccc2c2cc4c(cc32)sc2c(N(c3ccc5oc6ccccc6c5c3)c3cc(C(C)(C)C)ccn3)cccc24)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N(c4ccc5c(c4)c4ccccc4c4cc6c(cc54)sc4c(N(c5ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc5)c5cccc7c5sc5ccccc57)cccc46)c4cccc5c4sc4ccccc45)cc3)n2)cc1.c1ccc(N(c2ccc3c(c2)c2ccccc2c2cc4oc5ccccc5c4cc32)c2cccc3c2sc2ccccc23)cc1.c1ccc2c(c1)oc1ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4c(c3)c3ccccc3c3cc5c(cc43)sc3c(N(c4ccc6oc7ccccc7c6c4)c4ccc6sc7ccccc7c6c4)cccc35)cc12.c1ccc2c(c1)sc1c(N(c3ccc(-c4cncnc4)cc3)c3ccc4c(c3)c3ccccc3c3cc5c(cc43)oc3c(N(c4ccc(-c6cncnc6)cc4)c4cccc6c4sc4ccccc46)cccc35)cccc12
• InChI: InChI=1S/C90H54N8S3.C72H40N2O2S3.C68H40N6OS2.C66H50N4O2S.C42H25NOS/c1-5-22-55(23-6-1)85-91-86(56-24-7-2-8-25-56)94-89(93-85)59-42-46-61(47-43-59)97(76-37-19-34-69-67-32-15-17-40-79(67)99-82(69)76)63-50-51-66-72(52-63)64-30-13-14-31-65(64)73-53-75-71-36-21-39-78(84(71)101-81(75)54-74(66)73)98(77-38-20-35-70-68-33-16-18-41-80(68)100-83(70)77)62-48-44-60(45-49-62)90-95-87(57-26-9-3-10-27-57)92-88(96-90)58-28-11-4-12-29-58;1-2-13-47-46(12-1)54-34-41(73(42-25-30-65-57(35-42)49-14-3-7-20-63(49)75-65)43-27-32-69-59(37-43)51-16-5-9-22-67(51)77-69)24-29-48(54)56-40-71-61(39-55(47)56)53-18-11-19-62(72(53)79-71)74(44-26-31-66-58(36-44)50-15-4-8-21-64(50)76-66)45-28-33-70-60(38-45)52-17-6-10-23-68(52)78-70;1-2-11-49-48(10-1)56-32-47(73(45-26-22-41(23-27-45)43-35-69-39-70-36-43)61-18-8-15-54-51-12-3-5-20-64(51)76-67(54)61)30-31-50(56)58-34-63-59(33-57(49)58)53-14-7-17-60(66(53)75-63)74(46-28-24-42(25-29-46)44-37-71-40-72-38-44)62-19-9-16-55-52-13-4-6-21-65(52)77-68(55)62;1-65(2,3)39-28-30-67-62(32-39)69(42-23-26-59-53(35-42)47-16-9-11-20-57(47)71-59)41-22-25-46-50(34-41)44-14-7-8-15-45(44)51-37-55-49-18-13-19-56(64(49)73-61(55)38-52(46)51)70(63-33-40(29-31-68-63)66(4,5)6)43-24-27-60-54(36-43)48-17-10-12-21-58(48)72-60;1-2-11-26(12-3-1)43(38-18-10-17-33-32-16-7-9-20-41(32)45-42(33)38)27-21-22-30-34(23-27)28-13-4-5-14-29(28)36-25-40-37(24-35(30)36)31-15-6-8-19-39(31)44-40/h1-54H;1-40H;1-40H;7-38H,1-6H3;1-25H
• InChIKey: RKCPKMCTDOCBAU-UHFFFAOYSA-N
• XLogP: 100.71
• TPSA: 262.68 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 35
• Heavy Atoms: 375
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4981.20
LogP ≤ 5	100.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 5-N,21-N-bis(4-tert-butyl-2-pyridinyl)-5-N,21-N-di(dibenzofuran-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;N-dibenzothiophen-4-yl-N-phenyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;5-N,21-N-di(dibenzofuran-2-yl)-5-N,21-N-di(dibenzothiophen-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine?

The IUPAC name of 5-N,21-N-bis(4-tert-butyl-2-pyridinyl)-5-N,21-N-di(dibenzofuran-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;N-dibenzothiophen-4-yl-N-phenyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;5-N,21-N-di(dibenzofuran-2-yl)-5-N,21-N-di(dibenzothiophen-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine (CID 160648573) is 5-N,21-N-bis(4-tert-butyl-2-pyridinyl)-5-N,21-N-di(dibenzofuran-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;N-dibenzothiophen-4-yl-N-phenyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;5-N,21-N-di(dibenzofuran-2-yl)-5-N,21-N-di(dibenzothiophen-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine.

What is the SMILES notation for 5-N,21-N-bis(4-tert-butyl-2-pyridinyl)-5-N,21-N-di(dibenzofuran-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;N-dibenzothiophen-4-yl-N-phenyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;5-N,21-N-di(dibenzofuran-2-yl)-5-N,21-N-di(dibenzothiophen-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine?

The canonical SMILES for 5-N,21-N-bis(4-tert-butyl-2-pyridinyl)-5-N,21-N-di(dibenzofuran-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;N-dibenzothiophen-4-yl-N-phenyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;5-N,21-N-di(dibenzofuran-2-yl)-5-N,21-N-di(dibenzothiophen-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine is CC(C)(C)c1ccnc(N(c2ccc3oc4ccccc4c3c2)c2ccc3c(c2)c2ccccc2c2cc4c(cc32)sc2c(N(c3ccc5oc6ccccc6c5c3)c3cc(C(C)(C)C)ccn3)cccc24)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N(c4ccc5c(c4)c4ccccc4c4cc6c(cc54)sc4c(N(c5ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc5)c5cccc7c5sc5ccccc57)cccc46)c4cccc5c4sc4ccccc45)cc3)n2)cc1.c1ccc(N(c2ccc3c(c2)c2ccccc2c2cc4oc5ccccc5c4cc32)c2cccc3c2sc2ccccc23)cc1.c1ccc2c(c1)oc1ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4c(c3)c3ccccc3c3cc5c(cc43)sc3c(N(c4ccc6oc7ccccc7c6c4)c4ccc6sc7ccccc7c6c4)cccc35)cc12.c1ccc2c(c1)sc1c(N(c3ccc(-c4cncnc4)cc3)c3ccc4c(c3)c3ccccc3c3cc5c(cc43)oc3c(N(c4ccc(-c6cncnc6)cc4)c4cccc6c4sc4ccccc46)cccc35)cccc12.

What is the InChIKey of 5-N,21-N-bis(4-tert-butyl-2-pyridinyl)-5-N,21-N-di(dibenzofuran-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;N-dibenzothiophen-4-yl-N-phenyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;5-N,21-N-di(dibenzofuran-2-yl)-5-N,21-N-di(dibenzothiophen-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine?

The InChIKey is RKCPKMCTDOCBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H54N8S3.C72H40N2O2S3.C68H40N6OS2.C66H50N4O2S.C42H25NOS/c1-5-22-55(23-6-1)85-91-86(56-24-7-2-8-25-56)94-89(93-85)59-42-46-61(47-43-59)97(76-37-19-34-69-67-32-15-17-40-79(67)99-82(69)76)63-50-51-66-72(52-63)64-30-13-14-31-65(64)73-53-75-71-36-21-39-78(84(71)101-81(75)54-74(66)73)98(77-38-20-35-70-68-33-16-18-41-80(68)100-83(70)77)62-48-44-60(45-49-62)90-95-87(57-26-9-3-10-27-57)92-88(96-90)58-28-11-4-12-29-58;1-2-13-47-46(12-1)54-34-41(73(42-25-30-65-57(35-42)49-14-3-7-20-63(49)75-65)43-27-32-69-59(37-43)51-16-5-9-22-67(51)77-69)24-29-48(54)56-40-71-61(39-55(47)56)53-18-11-19-62(72(53)79-71)74(44-26-31-66-58(36-44)50-15-4-8-21-64(50)76-66)45-28-33-70-60(38-45)52-17-6-10-23-68(52)78-70;1-2-11-49-48(10-1)56-32-47(73(45-26-22-41(23-27-45)43-35-69-39-70-36-43)61-18-8-15-54-51-12-3-5-20-64(51)76-67(54)61)30-31-50(56)58-34-63-59(33-57(49)58)53-14-7-17-60(66(53)75-63)74(46-28-24-42(25-29-46)44-37-71-40-72-38-44)62-19-9-16-55-52-13-4-6-21-65(52)77-68(55)62;1-65(2,3)39-28-30-67-62(32-39)69(42-23-26-59-53(35-42)47-16-9-11-20-57(47)71-59)41-22-25-46-50(34-41)44-14-7-8-15-45(44)51-37-55-49-18-13-19-56(64(49)73-61(55)38-52(46)51)70(63-33-40(29-31-68-63)66(4,5)6)43-24-27-60-54(36-43)48-17-10-12-21-58(48)72-60;1-2-11-26(12-3-1)43(38-18-10-17-33-32-16-7-9-20-41(32)45-42(33)38)27-21-22-30-34(23-27)28-13-4-5-14-29(28)36-25-40-37(24-35(30)36)31-15-6-8-19-39(31)44-40/h1-54H;1-40H;1-40H;7-38H,1-6H3;1-25H.

What are the key properties of 5-N,21-N-bis(4-tert-butyl-2-pyridinyl)-5-N,21-N-di(dibenzofuran-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;N-dibenzothiophen-4-yl-N-phenyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;5-N,21-N-di(dibenzofuran-2-yl)-5-N,21-N-di(dibenzothiophen-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine?

5-N,21-N-bis(4-tert-butyl-2-pyridinyl)-5-N,21-N-di(dibenzofuran-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;N-dibenzothiophen-4-yl-N-phenyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;5-N,21-N-di(dibenzofuran-2-yl)-5-N,21-N-di(dibenzothiophen-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine has a molecular weight of 4981.20 g/mol, XLogP of 100.71, 35 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,21-N-bis(4-tert-butyl-2-pyridinyl)-5-N,21-N-di(dibenzofuran-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;N-dibenzothiophen-4-yl-N-phenyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;5-N,21-N-di(dibenzofuran-2-yl)-5-N,21-N-di(dibenzothiophen-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine is sourced from PubChem (CID 160648573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).