9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2,4-dimethylphenyl)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-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2-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;N-(4-tert-butylphenyl)-N-(6-cyclohexyldibenzofuran-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'-amine;N-(6-cyclohexyldibenzofuran-4-yl)-N-[4-(trifluoromethyl)phenyl]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'-amine

C311H237F3N10O6 — CID 165017765

About 9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2,4-dimethylphenyl)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-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2-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;N-(4-tert-butylphenyl)-N-(6-cyclohexyldibenzofuran-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'-amine;N-(6-cyclohexyldibenzofuran-4-yl)-N-[4-(trifluoromethyl)phenyl]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'-amine

9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2,4-dimethylphenyl)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-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2-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;N-(4-tert-butylphenyl)-N-(6-cyclohexyldibenzofuran-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'-amine;N-(6-cyclohexyldibenzofuran-4-yl)-N-[4-(trifluoromethyl)phenyl]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'-amine (PubChem CID 165017765) has the molecular formula C311H237F3N10O6 and a molecular weight of 4267.37 g/mol. Its IUPAC name is 9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2,4-dimethylphenyl)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-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2-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;N-(4-tert-butylphenyl)-N-(6-cyclohexyldibenzofuran-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'-amine;N-(6-cyclohexyldibenzofuran-4-yl)-N-[4-(trifluoromethyl)phenyl]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'-amine.

Molecular Properties

• Compound Name: 9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2,4-dimethylphenyl)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-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2-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;N-(4-tert-butylphenyl)-N-(6-cyclohexyldibenzofuran-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'-amine;N-(6-cyclohexyldibenzofuran-4-yl)-N-[4-(trifluoromethyl)phenyl]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'-amine
• PubChem CID: 165017765
• Molecular Formula: C311H237F3N10O6
• Molecular Weight: 4267.37 g/mol
• Exact Mass: 4263.85
• IUPAC Name: 9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2,4-dimethylphenyl)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-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2-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;N-(4-tert-butylphenyl)-N-(6-cyclohexyldibenzofuran-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'-amine;N-(6-cyclohexyldibenzofuran-4-yl)-N-[4-(trifluoromethyl)phenyl]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'-amine
• SMILES: CC(C)(C)c1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.Cc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C)cc4C)c4cccc5c4oc4c(C6CCCCC6)cccc45)c4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(C4CCCCC4)cccc23)c(C)c1.Cc1ccccc1N(c1cc2c(c3ccccc13)-c1c(cc(N(c3ccccc3C)c3cccc4c3oc3c(C5CCCCC5)cccc34)c3ccccc13)C21c2ccccc2-n2c3ccccc3c3cccc1c32)c1cccc2c1oc1c(C3CCCCC3)cccc12.FC(F)(F)c1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1
• InChI: InChI=1S/C91H73N3O2.C89H69N3O2.C67H52N2O.C64H43F3N2O/c1-54-46-48-76(56(3)50-54)92(80-44-22-38-70-68-36-19-33-60(87(68)95-89(70)80)58-24-7-5-8-25-58)82-52-74-84(65-31-13-11-28-62(65)82)85-66-32-14-12-29-63(66)83(53-75(85)91(74)72-40-16-18-43-79(72)94-78-42-17-15-30-64(78)67-35-21-41-73(91)86(67)94)93(77-49-47-55(2)51-57(77)4)81-45-23-39-71-69-37-20-34-61(88(69)96-90(71)81)59-26-9-6-10-27-59;1-54-26-9-17-46-74(54)90(78-50-24-42-68-66-40-21-37-58(85(66)93-87(68)78)56-28-5-3-6-29-56)80-52-72-82(63-35-13-11-32-60(63)80)83-64-36-14-12-33-61(64)81(53-73(83)89(72)70-44-16-20-49-77(70)92-76-48-19-15-34-62(76)65-39-23-45-71(89)84(65)92)91(75-47-18-10-27-55(75)2)79-51-25-43-69-67-41-22-38-59(86(67)94-88(69)79)57-30-7-4-8-31-57;1-66(2,3)43-35-37-44(38-36-43)68(59-33-17-28-52-51-27-15-25-46(64(51)70-65(52)59)41-18-5-4-6-19-41)60-40-56-62(49-24-10-9-22-47(49)60)61-45-21-8-7-20-42(45)34-39-54(61)67(56)53-29-12-14-32-58(53)69-57-31-13-11-23-48(57)50-26-16-30-55(67)63(50)69;65-64(66,67)40-32-34-41(35-33-40)68(56-30-14-25-49-48-24-12-22-43(61(48)70-62(49)56)38-15-2-1-3-16-38)57-37-53-59(46-21-7-6-19-44(46)57)58-42-18-5-4-17-39(42)31-36-51(58)63(53)50-26-9-11-29-55(50)69-54-28-10-8-20-45(54)47-23-13-27-52(63)60(47)69/h11-23,28-53,58-59H,5-10,24-27H2,1-4H3;9-27,32-53,56-57H,3-8,28-31H2,1-2H3;7-17,20-41H,4-6,18-19H2,1-3H3;4-14,17-38H,1-3,15-16H2
• InChIKey: KRRBLNKBILLTEH-UHFFFAOYSA-N
• XLogP: 87.73
• TPSA: 118.00 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 330
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4267.37
LogP ≤ 5	87.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2,4-dimethylphenyl)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-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2-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;N-(4-tert-butylphenyl)-N-(6-cyclohexyldibenzofuran-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'-amine;N-(6-cyclohexyldibenzofuran-4-yl)-N-[4-(trifluoromethyl)phenyl]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'-amine?

The IUPAC name of 9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2,4-dimethylphenyl)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-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2-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;N-(4-tert-butylphenyl)-N-(6-cyclohexyldibenzofuran-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'-amine;N-(6-cyclohexyldibenzofuran-4-yl)-N-[4-(trifluoromethyl)phenyl]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'-amine (CID 165017765) is 9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2,4-dimethylphenyl)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-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2-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;N-(4-tert-butylphenyl)-N-(6-cyclohexyldibenzofuran-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'-amine;N-(6-cyclohexyldibenzofuran-4-yl)-N-[4-(trifluoromethyl)phenyl]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'-amine.

What is the SMILES notation for 9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2,4-dimethylphenyl)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-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2-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;N-(4-tert-butylphenyl)-N-(6-cyclohexyldibenzofuran-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'-amine;N-(6-cyclohexyldibenzofuran-4-yl)-N-[4-(trifluoromethyl)phenyl]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'-amine?

The canonical SMILES for 9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2,4-dimethylphenyl)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-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2-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;N-(4-tert-butylphenyl)-N-(6-cyclohexyldibenzofuran-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'-amine;N-(6-cyclohexyldibenzofuran-4-yl)-N-[4-(trifluoromethyl)phenyl]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'-amine is CC(C)(C)c1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.Cc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C)cc4C)c4cccc5c4oc4c(C6CCCCC6)cccc45)c4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(C4CCCCC4)cccc23)c(C)c1.Cc1ccccc1N(c1cc2c(c3ccccc13)-c1c(cc(N(c3ccccc3C)c3cccc4c3oc3c(C5CCCCC5)cccc34)c3ccccc13)C21c2ccccc2-n2c3ccccc3c3cccc1c32)c1cccc2c1oc1c(C3CCCCC3)cccc12.FC(F)(F)c1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.

What is the InChIKey of 9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2,4-dimethylphenyl)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-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2-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;N-(4-tert-butylphenyl)-N-(6-cyclohexyldibenzofuran-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'-amine;N-(6-cyclohexyldibenzofuran-4-yl)-N-[4-(trifluoromethyl)phenyl]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'-amine?

The InChIKey is KRRBLNKBILLTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H73N3O2.C89H69N3O2.C67H52N2O.C64H43F3N2O/c1-54-46-48-76(56(3)50-54)92(80-44-22-38-70-68-36-19-33-60(87(68)95-89(70)80)58-24-7-5-8-25-58)82-52-74-84(65-31-13-11-28-62(65)82)85-66-32-14-12-29-63(66)83(53-75(85)91(74)72-40-16-18-43-79(72)94-78-42-17-15-30-64(78)67-35-21-41-73(91)86(67)94)93(77-49-47-55(2)51-57(77)4)81-45-23-39-71-69-37-20-34-61(88(69)96-90(71)81)59-26-9-6-10-27-59;1-54-26-9-17-46-74(54)90(78-50-24-42-68-66-40-21-37-58(85(66)93-87(68)78)56-28-5-3-6-29-56)80-52-72-82(63-35-13-11-32-60(63)80)83-64-36-14-12-33-61(64)81(53-73(83)89(72)70-44-16-20-49-77(70)92-76-48-19-15-34-62(76)65-39-23-45-71(89)84(65)92)91(75-47-18-10-27-55(75)2)79-51-25-43-69-67-41-22-38-59(86(67)94-88(69)79)57-30-7-4-8-31-57;1-66(2,3)43-35-37-44(38-36-43)68(59-33-17-28-52-51-27-15-25-46(64(51)70-65(52)59)41-18-5-4-6-19-41)60-40-56-62(49-24-10-9-22-47(49)60)61-45-21-8-7-20-42(45)34-39-54(61)67(56)53-29-12-14-32-58(53)69-57-31-13-11-23-48(57)50-26-16-30-55(67)63(50)69;65-64(66,67)40-32-34-41(35-33-40)68(56-30-14-25-49-48-24-12-22-43(61(48)70-62(49)56)38-15-2-1-3-16-38)57-37-53-59(46-21-7-6-19-44(46)57)58-42-18-5-4-17-39(42)31-36-51(58)63(53)50-26-9-11-29-55(50)69-54-28-10-8-20-45(54)47-23-13-27-52(63)60(47)69/h11-23,28-53,58-59H,5-10,24-27H2,1-4H3;9-27,32-53,56-57H,3-8,28-31H2,1-2H3;7-17,20-41H,4-6,18-19H2,1-3H3;4-14,17-38H,1-3,15-16H2.

What are the key properties of 9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2,4-dimethylphenyl)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-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2-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;N-(4-tert-butylphenyl)-N-(6-cyclohexyldibenzofuran-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'-amine;N-(6-cyclohexyldibenzofuran-4-yl)-N-[4-(trifluoromethyl)phenyl]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'-amine?

9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2,4-dimethylphenyl)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-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2-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;N-(4-tert-butylphenyl)-N-(6-cyclohexyldibenzofuran-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'-amine;N-(6-cyclohexyldibenzofuran-4-yl)-N-[4-(trifluoromethyl)phenyl]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'-amine has a molecular weight of 4267.37 g/mol, XLogP of 87.73, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2,4-dimethylphenyl)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-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2-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;N-(4-tert-butylphenyl)-N-(6-cyclohexyldibenzofuran-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'-amine;N-(6-cyclohexyldibenzofuran-4-yl)-N-[4-(trifluoromethyl)phenyl]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'-amine is sourced from PubChem (CID 165017765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).