9-N',15-N'-bis(2,4-dimethylphenyl)-9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;5-N,10-N-bis(4-ethylphenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine

C387H239F10N15O10 — CID 161342466

About 9-N',15-N'-bis(2,4-dimethylphenyl)-9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;5-N,10-N-bis(4-ethylphenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine

9-N',15-N'-bis(2,4-dimethylphenyl)-9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;5-N,10-N-bis(4-ethylphenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine (PubChem CID 161342466) has the molecular formula C387H239F10N15O10 and a molecular weight of 5449.24 g/mol. Its IUPAC name is 9-N',15-N'-bis(2,4-dimethylphenyl)-9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;5-N,10-N-bis(4-ethylphenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine.

Molecular Properties

• Compound Name: 9-N',15-N'-bis(2,4-dimethylphenyl)-9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;5-N,10-N-bis(4-ethylphenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine
• PubChem CID: 161342466
• Molecular Formula: C387H239F10N15O10
• Molecular Weight: 5449.24 g/mol
• Exact Mass: 5444.85
• IUPAC Name: 9-N',15-N'-bis(2,4-dimethylphenyl)-9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;5-N,10-N-bis(4-ethylphenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine
• SMILES: CCc1ccc(N(c2ccc3c(c2)c2cc(N(c4ccc(CC)cc4)c4cccc5c4oc4c(C)cccc45)cc4c2n3-c2ccccc2C42c3ccc4ccccc4c3-c3c2ccc2ccccc32)c2cccc3c2oc2c(C)cccc23)cc1.Cc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C)cc4)c4cccc5c4oc4c(F)cccc45)c4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(F)cccc23)cc1.Cc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C)cc4C)c4cccc5c4oc4c(F)cccc45)c4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(F)cccc23)c(C)c1.Fc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(F)cc4)c4cccc5c4oc4c(F)cccc45)c4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(F)cccc23)cc1.Fc1cccc2c1oc1c(N(c3ccccc3)c3cc4c(c5ccccc35)-c3c(cc(N(c5ccccc5)c5cccc6c5oc5c(F)cccc56)c5ccccc35)C43c4ccccc4-n4c5ccccc5c5cccc3c54)cccc12
• InChI: InChI=1S/C81H57N3O2.C79H51F2N3O2.C77H47F2N3O2.C75H41F4N3O2.C75H43F2N3O2/c1-5-50-31-37-54(38-32-50)82(72-29-15-25-62-60-23-13-17-48(3)77(60)85-79(62)72)56-41-44-70-64(45-56)65-46-57(83(55-39-33-51(6-2)34-40-55)73-30-16-26-63-61-24-14-18-49(4)78(61)86-80(63)73)47-69-76(65)84(70)71-28-12-11-27-66(71)81(69)67-42-35-52-19-7-9-21-58(52)74(67)75-59-22-10-8-20-53(59)36-43-68(75)81;1-44-36-38-64(46(3)40-44)82(68-34-16-26-56-54-24-14-30-62(80)75(54)85-77(56)68)70-42-60-72(51-21-7-5-18-48(51)70)73-52-22-8-6-19-49(52)71(83(65-39-37-45(2)41-47(65)4)69-35-17-27-57-55-25-15-31-63(81)76(55)86-78(57)69)43-61(73)79(60)58-28-10-12-33-67(58)84-66-32-11-9-20-50(66)53-23-13-29-59(79)74(53)84;1-44-34-38-46(39-35-44)80(66-32-14-24-56-54-22-12-28-62(78)73(54)83-75(56)66)68-42-60-70(51-19-5-3-16-48(51)68)71-52-20-6-4-17-49(52)69(81(47-40-36-45(2)37-41-47)67-33-15-25-57-55-23-13-29-63(79)74(55)84-76(57)67)43-61(71)77(60)58-26-8-10-31-65(58)82-64-30-9-7-18-50(64)53-21-11-27-59(77)72(53)82;76-42-32-36-44(37-33-42)80(64-30-12-22-54-52-20-10-26-60(78)71(52)83-73(54)64)66-40-58-68(49-17-3-1-14-46(49)66)69-50-18-4-2-15-47(50)67(81(45-38-34-43(77)35-39-45)65-31-13-23-55-53-21-11-27-61(79)72(53)84-74(55)65)41-59(69)75(58)56-24-6-8-29-63(56)82-62-28-7-5-16-48(62)51-19-9-25-57(75)70(51)82;76-60-36-16-30-52-54-32-18-40-64(73(54)81-71(52)60)78(44-20-3-1-4-21-44)66-42-58-68(49-27-9-7-24-46(49)66)69-50-28-10-8-25-47(50)67(79(45-22-5-2-6-23-45)65-41-19-33-55-53-31-17-37-61(77)72(53)82-74(55)65)43-59(69)75(58)56-34-12-14-39-63(56)80-62-38-13-11-26-48(62)51-29-15-35-57(75)70(51)80/h7-47H,5-6H2,1-4H3;5-43H,1-4H3;3-43H,1-2H3;1-41H;1-43H
• InChIKey: VMVVXASALXKPCL-UHFFFAOYSA-N
• XLogP: 107.51
• TPSA: 188.45 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 422
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5449.24
LogP ≤ 5	107.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 9-N',15-N'-bis(2,4-dimethylphenyl)-9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;5-N,10-N-bis(4-ethylphenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine?

The IUPAC name of 9-N',15-N'-bis(2,4-dimethylphenyl)-9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;5-N,10-N-bis(4-ethylphenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine (CID 161342466) is 9-N',15-N'-bis(2,4-dimethylphenyl)-9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;5-N,10-N-bis(4-ethylphenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine.

What is the SMILES notation for 9-N',15-N'-bis(2,4-dimethylphenyl)-9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;5-N,10-N-bis(4-ethylphenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine?

The canonical SMILES for 9-N',15-N'-bis(2,4-dimethylphenyl)-9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;5-N,10-N-bis(4-ethylphenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine is CCc1ccc(N(c2ccc3c(c2)c2cc(N(c4ccc(CC)cc4)c4cccc5c4oc4c(C)cccc45)cc4c2n3-c2ccccc2C42c3ccc4ccccc4c3-c3c2ccc2ccccc32)c2cccc3c2oc2c(C)cccc23)cc1.Cc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C)cc4)c4cccc5c4oc4c(F)cccc45)c4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(F)cccc23)cc1.Cc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C)cc4C)c4cccc5c4oc4c(F)cccc45)c4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(F)cccc23)c(C)c1.Fc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(F)cc4)c4cccc5c4oc4c(F)cccc45)c4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(F)cccc23)cc1.Fc1cccc2c1oc1c(N(c3ccccc3)c3cc4c(c5ccccc35)-c3c(cc(N(c5ccccc5)c5cccc6c5oc5c(F)cccc56)c5ccccc35)C43c4ccccc4-n4c5ccccc5c5cccc3c54)cccc12.

What is the InChIKey of 9-N',15-N'-bis(2,4-dimethylphenyl)-9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;5-N,10-N-bis(4-ethylphenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine?

The InChIKey is VMVVXASALXKPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H57N3O2.C79H51F2N3O2.C77H47F2N3O2.C75H41F4N3O2.C75H43F2N3O2/c1-5-50-31-37-54(38-32-50)82(72-29-15-25-62-60-23-13-17-48(3)77(60)85-79(62)72)56-41-44-70-64(45-56)65-46-57(83(55-39-33-51(6-2)34-40-55)73-30-16-26-63-61-24-14-18-49(4)78(61)86-80(63)73)47-69-76(65)84(70)71-28-12-11-27-66(71)81(69)67-42-35-52-19-7-9-21-58(52)74(67)75-59-22-10-8-20-53(59)36-43-68(75)81;1-44-36-38-64(46(3)40-44)82(68-34-16-26-56-54-24-14-30-62(80)75(54)85-77(56)68)70-42-60-72(51-21-7-5-18-48(51)70)73-52-22-8-6-19-49(52)71(83(65-39-37-45(2)41-47(65)4)69-35-17-27-57-55-25-15-31-63(81)76(55)86-78(57)69)43-61(73)79(60)58-28-10-12-33-67(58)84-66-32-11-9-20-50(66)53-23-13-29-59(79)74(53)84;1-44-34-38-46(39-35-44)80(66-32-14-24-56-54-22-12-28-62(78)73(54)83-75(56)66)68-42-60-70(51-19-5-3-16-48(51)68)71-52-20-6-4-17-49(52)69(81(47-40-36-45(2)37-41-47)67-33-15-25-57-55-23-13-29-63(79)74(55)84-76(57)67)43-61(71)77(60)58-26-8-10-31-65(58)82-64-30-9-7-18-50(64)53-21-11-27-59(77)72(53)82;76-42-32-36-44(37-33-42)80(64-30-12-22-54-52-20-10-26-60(78)71(52)83-73(54)64)66-40-58-68(49-17-3-1-14-46(49)66)69-50-18-4-2-15-47(50)67(81(45-38-34-43(77)35-39-45)65-31-13-23-55-53-21-11-27-61(79)72(53)84-74(55)65)41-59(69)75(58)56-24-6-8-29-63(56)82-62-28-7-5-16-48(62)51-19-9-25-57(75)70(51)82;76-60-36-16-30-52-54-32-18-40-64(73(54)81-71(52)60)78(44-20-3-1-4-21-44)66-42-58-68(49-27-9-7-24-46(49)66)69-50-28-10-8-25-47(50)67(79(45-22-5-2-6-23-45)65-41-19-33-55-53-31-17-37-61(77)72(53)82-74(55)65)43-59(69)75(58)56-34-12-14-39-63(56)80-62-38-13-11-26-48(62)51-29-15-35-57(75)70(51)80/h7-47H,5-6H2,1-4H3;5-43H,1-4H3;3-43H,1-2H3;1-41H;1-43H.

What are the key properties of 9-N',15-N'-bis(2,4-dimethylphenyl)-9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;5-N,10-N-bis(4-ethylphenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine?

9-N',15-N'-bis(2,4-dimethylphenyl)-9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;5-N,10-N-bis(4-ethylphenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine has a molecular weight of 5449.24 g/mol, XLogP of 107.51, 32 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N',15-N'-bis(2,4-dimethylphenyl)-9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;5-N,10-N-bis(4-ethylphenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine is sourced from PubChem (CID 161342466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).