N-[3-(4-butylphenyl)phenyl]-8-phenyl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-[2-(4-tert-butylphenyl)phenyl]-N-(6-pyridin-2-yldibenzothiophen-4-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-naphthalen-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-pyren-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-(9,9-dimethylfluoren-2-yl)-8-pyridin-3-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-(9,9'-spirobi[fluorene]-2-yl)-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine

C330H208N8O6S6 — CID 161043020

About N-[3-(4-butylphenyl)phenyl]-8-phenyl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-[2-(4-tert-butylphenyl)phenyl]-N-(6-pyridin-2-yldibenzothiophen-4-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-naphthalen-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-pyren-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-(9,9-dimethylfluoren-2-yl)-8-pyridin-3-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-(9,9'-spirobi[fluorene]-2-yl)-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine

N-[3-(4-butylphenyl)phenyl]-8-phenyl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-[2-(4-tert-butylphenyl)phenyl]-N-(6-pyridin-2-yldibenzothiophen-4-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-naphthalen-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-pyren-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-(9,9-dimethylfluoren-2-yl)-8-pyridin-3-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-(9,9'-spirobi[fluorene]-2-yl)-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine (PubChem CID 161043020) has the molecular formula C330H208N8O6S6 and a molecular weight of 4573.75 g/mol. Its IUPAC name is N-[3-(4-butylphenyl)phenyl]-8-phenyl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-[2-(4-tert-butylphenyl)phenyl]-N-(6-pyridin-2-yldibenzothiophen-4-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-naphthalen-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-pyren-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-(9,9-dimethylfluoren-2-yl)-8-pyridin-3-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-(9,9'-spirobi[fluorene]-2-yl)-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine.

Molecular Properties

• Compound Name: N-[3-(4-butylphenyl)phenyl]-8-phenyl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-[2-(4-tert-butylphenyl)phenyl]-N-(6-pyridin-2-yldibenzothiophen-4-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-naphthalen-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-pyren-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-(9,9-dimethylfluoren-2-yl)-8-pyridin-3-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-(9,9'-spirobi[fluorene]-2-yl)-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine
• PubChem CID: 161043020
• Molecular Formula: C330H208N8O6S6
• Molecular Weight: 4573.75 g/mol
• Exact Mass: 4569.45
• IUPAC Name: N-[3-(4-butylphenyl)phenyl]-8-phenyl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-[2-(4-tert-butylphenyl)phenyl]-N-(6-pyridin-2-yldibenzothiophen-4-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-naphthalen-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-pyren-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-(9,9-dimethylfluoren-2-yl)-8-pyridin-3-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-(9,9'-spirobi[fluorene]-2-yl)-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine
• SMILES: CC(C)(C)c1ccc(-c2ccccc2N(c2cccc3c2oc2cc4c5ccccc5c5ccccc5c4cc23)c2cccc3c2sc2c(-c4ccccn4)cccc23)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc4oc5ccc(-c6cccnc6)cc5c4c3)c3cccc4c3sc3cc5c6ccccc6c6ccccc6c5cc34)cc21.CCCCc1ccc(-c2cccc(N(c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)c3cccc4c3sc3cc5c6ccccc6c6ccccc6c5cc34)c2)cc1.c1cc2ccc3ccc(N(c4cccc5c4oc4cc6c7ccccc7c7ccccc7c6cc45)c4cccc5c4sc4ccccc45)c4ccc(c1)c2c34.c1ccc2c(N(c3cccc4c3oc3cc5c6ccccc6c6ccccc6c5cc34)c3cccc4c3sc3ccccc34)cccc2c1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3sc3cc5c6ccccc6c6ccccc6c5cc34)cc21
• InChI: InChI=1S/C61H35NOS.C58H41NOS.C57H40N2OS.C56H36N2OS.C52H29NOS.C46H27NOS/c1-3-16-40-38(14-1)39-15-2-4-17-41(39)49-35-59-51(34-48(40)49)47-22-13-26-56(60(47)64-59)62(36-29-31-58-50(32-36)46-21-8-12-27-57(46)63-58)37-28-30-45-44-20-7-11-25-54(44)61(55(45)33-37)52-23-9-5-18-42(52)43-19-6-10-24-53(43)61;1-2-3-13-37-24-26-39(27-25-37)40-16-11-17-42(32-40)59(43-29-31-56-52(34-43)51-33-41(28-30-55(51)60-56)38-14-5-4-6-15-38)54-23-12-22-48-53-35-49-46-20-9-7-18-44(46)45-19-8-10-21-47(45)50(49)36-57(53)61-58(48)54;1-57(2,3)36-30-28-35(29-31-36)37-15-8-9-25-50(37)59(52-27-14-22-44-43-21-12-23-45(55(43)61-56(44)52)49-24-10-11-32-58-49)51-26-13-20-42-48-33-46-40-18-6-4-16-38(40)39-17-5-7-19-41(39)47(46)34-53(48)60-54(42)51;1-56(2)49-18-8-7-16-41(49)42-23-21-36(29-50(42)56)58(35-22-25-53-47(28-35)46-27-33(20-24-52(46)59-53)34-11-10-26-57-32-34)51-19-9-17-43-48-30-44-39-14-5-3-12-37(39)38-13-4-6-15-40(38)45(44)31-54(48)60-55(43)51;1-3-14-35-33(12-1)34-13-2-4-15-36(34)42-29-47-43(28-41(35)42)38-17-8-19-45(51(38)54-47)53(46-20-9-18-39-37-16-5-6-21-48(37)55-52(39)46)44-27-25-32-23-22-30-10-7-11-31-24-26-40(44)50(32)49(30)31;1-2-14-29-28(12-1)13-9-22-40(29)47(42-24-11-21-36-34-19-7-8-25-44(34)49-46(36)42)41-23-10-20-35-39-26-37-32-17-5-3-15-30(32)31-16-4-6-18-33(31)38(37)27-43(39)48-45(35)41/h1-35H;4-12,14-36H,2-3,13H2,1H3;4-34H,1-3H3;3-32H,1-2H3;1-29H;1-27H
• InChIKey: UBCXGSVPVUVTDU-UHFFFAOYSA-N
• XLogP: 97.77
• TPSA: 124.06 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 350
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4573.75
LogP ≤ 5	97.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-butylphenyl)phenyl]-8-phenyl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-[2-(4-tert-butylphenyl)phenyl]-N-(6-pyridin-2-yldibenzothiophen-4-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-naphthalen-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-pyren-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-(9,9-dimethylfluoren-2-yl)-8-pyridin-3-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-(9,9'-spirobi[fluorene]-2-yl)-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine?

The IUPAC name of N-[3-(4-butylphenyl)phenyl]-8-phenyl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-[2-(4-tert-butylphenyl)phenyl]-N-(6-pyridin-2-yldibenzothiophen-4-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-naphthalen-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-pyren-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-(9,9-dimethylfluoren-2-yl)-8-pyridin-3-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-(9,9'-spirobi[fluorene]-2-yl)-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine (CID 161043020) is N-[3-(4-butylphenyl)phenyl]-8-phenyl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-[2-(4-tert-butylphenyl)phenyl]-N-(6-pyridin-2-yldibenzothiophen-4-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-naphthalen-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-pyren-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-(9,9-dimethylfluoren-2-yl)-8-pyridin-3-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-(9,9'-spirobi[fluorene]-2-yl)-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine.

What is the SMILES notation for N-[3-(4-butylphenyl)phenyl]-8-phenyl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-[2-(4-tert-butylphenyl)phenyl]-N-(6-pyridin-2-yldibenzothiophen-4-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-naphthalen-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-pyren-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-(9,9-dimethylfluoren-2-yl)-8-pyridin-3-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-(9,9'-spirobi[fluorene]-2-yl)-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine?

The canonical SMILES for N-[3-(4-butylphenyl)phenyl]-8-phenyl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-[2-(4-tert-butylphenyl)phenyl]-N-(6-pyridin-2-yldibenzothiophen-4-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-naphthalen-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-pyren-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-(9,9-dimethylfluoren-2-yl)-8-pyridin-3-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-(9,9'-spirobi[fluorene]-2-yl)-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine is CC(C)(C)c1ccc(-c2ccccc2N(c2cccc3c2oc2cc4c5ccccc5c5ccccc5c4cc23)c2cccc3c2sc2c(-c4ccccn4)cccc23)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc4oc5ccc(-c6cccnc6)cc5c4c3)c3cccc4c3sc3cc5c6ccccc6c6ccccc6c5cc34)cc21.CCCCc1ccc(-c2cccc(N(c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)c3cccc4c3sc3cc5c6ccccc6c6ccccc6c5cc34)c2)cc1.c1cc2ccc3ccc(N(c4cccc5c4oc4cc6c7ccccc7c7ccccc7c6cc45)c4cccc5c4sc4ccccc45)c4ccc(c1)c2c34.c1ccc2c(N(c3cccc4c3oc3cc5c6ccccc6c6ccccc6c5cc34)c3cccc4c3sc3ccccc34)cccc2c1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3sc3cc5c6ccccc6c6ccccc6c5cc34)cc21.

What is the InChIKey of N-[3-(4-butylphenyl)phenyl]-8-phenyl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-[2-(4-tert-butylphenyl)phenyl]-N-(6-pyridin-2-yldibenzothiophen-4-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-naphthalen-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-pyren-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-(9,9-dimethylfluoren-2-yl)-8-pyridin-3-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-(9,9'-spirobi[fluorene]-2-yl)-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine?

The InChIKey is UBCXGSVPVUVTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H35NOS.C58H41NOS.C57H40N2OS.C56H36N2OS.C52H29NOS.C46H27NOS/c1-3-16-40-38(14-1)39-15-2-4-17-41(39)49-35-59-51(34-48(40)49)47-22-13-26-56(60(47)64-59)62(36-29-31-58-50(32-36)46-21-8-12-27-57(46)63-58)37-28-30-45-44-20-7-11-25-54(44)61(55(45)33-37)52-23-9-5-18-42(52)43-19-6-10-24-53(43)61;1-2-3-13-37-24-26-39(27-25-37)40-16-11-17-42(32-40)59(43-29-31-56-52(34-43)51-33-41(28-30-55(51)60-56)38-14-5-4-6-15-38)54-23-12-22-48-53-35-49-46-20-9-7-18-44(46)45-19-8-10-21-47(45)50(49)36-57(53)61-58(48)54;1-57(2,3)36-30-28-35(29-31-36)37-15-8-9-25-50(37)59(52-27-14-22-44-43-21-12-23-45(55(43)61-56(44)52)49-24-10-11-32-58-49)51-26-13-20-42-48-33-46-40-18-6-4-16-38(40)39-17-5-7-19-41(39)47(46)34-53(48)60-54(42)51;1-56(2)49-18-8-7-16-41(49)42-23-21-36(29-50(42)56)58(35-22-25-53-47(28-35)46-27-33(20-24-52(46)59-53)34-11-10-26-57-32-34)51-19-9-17-43-48-30-44-39-14-5-3-12-37(39)38-13-4-6-15-40(38)45(44)31-54(48)60-55(43)51;1-3-14-35-33(12-1)34-13-2-4-15-36(34)42-29-47-43(28-41(35)42)38-17-8-19-45(51(38)54-47)53(46-20-9-18-39-37-16-5-6-21-48(37)55-52(39)46)44-27-25-32-23-22-30-10-7-11-31-24-26-40(44)50(32)49(30)31;1-2-14-29-28(12-1)13-9-22-40(29)47(42-24-11-21-36-34-19-7-8-25-44(34)49-46(36)42)41-23-10-20-35-39-26-37-32-17-5-3-15-30(32)31-16-4-6-18-33(31)38(37)27-43(39)48-45(35)41/h1-35H;4-12,14-36H,2-3,13H2,1H3;4-34H,1-3H3;3-32H,1-2H3;1-29H;1-27H.

What are the key properties of N-[3-(4-butylphenyl)phenyl]-8-phenyl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-[2-(4-tert-butylphenyl)phenyl]-N-(6-pyridin-2-yldibenzothiophen-4-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-naphthalen-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-pyren-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-(9,9-dimethylfluoren-2-yl)-8-pyridin-3-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-(9,9'-spirobi[fluorene]-2-yl)-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine?

N-[3-(4-butylphenyl)phenyl]-8-phenyl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-[2-(4-tert-butylphenyl)phenyl]-N-(6-pyridin-2-yldibenzothiophen-4-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-naphthalen-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-pyren-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-(9,9-dimethylfluoren-2-yl)-8-pyridin-3-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-(9,9'-spirobi[fluorene]-2-yl)-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine has a molecular weight of 4573.75 g/mol, XLogP of 97.77, 26 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-butylphenyl)phenyl]-8-phenyl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-[2-(4-tert-butylphenyl)phenyl]-N-(6-pyridin-2-yldibenzothiophen-4-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-naphthalen-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-dibenzothiophen-4-yl-N-pyren-1-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-amine;N-(9,9-dimethylfluoren-2-yl)-8-pyridin-3-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine;N-(9,9'-spirobi[fluorene]-2-yl)-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)dibenzofuran-2-amine is sourced from PubChem (CID 161043020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).