9-N',15-N'-bis(6-cyclohexyldibenzofuran-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-cyclohexyldibenzofuran-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;N-(6-cyclohexyldibenzofuran-4-yl)-N-(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'-amine;4-[(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'-ylamino]benzonitrile

C303H220FN11O6 — CID 165069557

About 9-N',15-N'-bis(6-cyclohexyldibenzofuran-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-cyclohexyldibenzofuran-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;N-(6-cyclohexyldibenzofuran-4-yl)-N-(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'-amine;4-[(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'-ylamino]benzonitrile

9-N',15-N'-bis(6-cyclohexyldibenzofuran-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-cyclohexyldibenzofuran-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;N-(6-cyclohexyldibenzofuran-4-yl)-N-(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'-amine;4-[(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'-ylamino]benzonitrile (PubChem CID 165069557) has the molecular formula C303H220FN11O6 and a molecular weight of 4130.16 g/mol. Its IUPAC name is 9-N',15-N'-bis(6-cyclohexyldibenzofuran-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-cyclohexyldibenzofuran-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;N-(6-cyclohexyldibenzofuran-4-yl)-N-(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'-amine;4-[(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'-ylamino]benzonitrile.

Molecular Properties

• Compound Name: 9-N',15-N'-bis(6-cyclohexyldibenzofuran-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-cyclohexyldibenzofuran-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;N-(6-cyclohexyldibenzofuran-4-yl)-N-(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'-amine;4-[(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'-ylamino]benzonitrile
• PubChem CID: 165069557
• Molecular Formula: C303H220FN11O6
• Molecular Weight: 4130.16 g/mol
• Exact Mass: 4126.72
• IUPAC Name: 9-N',15-N'-bis(6-cyclohexyldibenzofuran-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-cyclohexyldibenzofuran-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;N-(6-cyclohexyldibenzofuran-4-yl)-N-(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'-amine;4-[(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'-ylamino]benzonitrile
• SMILES: Cc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C)cc4)c4cccc5c4oc4c(C6CCCCC6)cccc45)c4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.Fc1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.N#Cc1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.c1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccccc4)c4cccc5c4oc4c(C6CCCCC6)cccc45)c4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1
• InChI: InChI=1S/C89H69N3O2.C87H65N3O2.C64H43N3O.C63H43FN2O/c1-54-44-48-58(49-45-54)90(78-42-20-36-70-68-34-17-31-60(85(68)93-87(70)78)56-22-5-3-6-23-56)80-52-74-82(65-29-11-9-26-62(65)80)83-66-30-12-10-27-63(66)81(53-75(83)89(74)72-38-14-16-41-77(72)92-76-40-15-13-28-64(76)67-33-19-39-73(89)84(67)92)91(59-50-46-55(2)47-51-59)79-43-21-37-71-69-35-18-32-61(86(69)94-88(71)79)57-24-7-4-8-25-57;1-5-26-54(27-6-1)58-39-21-42-66-68-44-24-50-76(85(68)91-83(58)66)88(56-30-9-3-10-31-56)78-52-72-80(63-37-15-13-34-60(63)78)81-64-38-16-14-35-61(64)79(53-73(81)87(72)70-46-18-20-49-75(70)90-74-48-19-17-36-62(74)65-41-23-47-71(87)82(65)90)89(57-32-11-4-12-33-57)77-51-25-45-69-67-43-22-40-59(84(67)92-86(69)77)55-28-7-2-8-29-55;65-38-39-31-34-42(35-32-39)66(57-30-14-25-50-49-24-12-22-44(62(49)68-63(50)57)40-15-2-1-3-16-40)58-37-54-60(47-21-7-6-19-45(47)58)59-43-18-5-4-17-41(43)33-36-52(59)64(54)51-26-9-11-29-56(51)67-55-28-10-8-20-46(55)48-23-13-27-53(64)61(48)67;64-40-32-34-41(35-33-40)65(56-30-14-25-49-48-24-12-22-43(61(48)67-62(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)66-54-28-10-8-20-45(54)47-23-13-27-52(63)60(47)66/h9-21,26-53,56-57H,3-8,22-25H2,1-2H3;3-4,9-25,30-55H,1-2,5-8,26-29H2;4-14,17-37,40H,1-3,15-16H2;4-14,17-38H,1-3,15-16H2
• InChIKey: SNNQHZCBQICDTC-UHFFFAOYSA-N
• XLogP: 84.20
• TPSA: 141.79 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 24
• Heavy Atoms: 321
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4130.16
LogP ≤ 5	84.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 9-N',15-N'-bis(6-cyclohexyldibenzofuran-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-cyclohexyldibenzofuran-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;N-(6-cyclohexyldibenzofuran-4-yl)-N-(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'-amine;4-[(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'-ylamino]benzonitrile?

The IUPAC name of 9-N',15-N'-bis(6-cyclohexyldibenzofuran-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-cyclohexyldibenzofuran-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;N-(6-cyclohexyldibenzofuran-4-yl)-N-(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'-amine;4-[(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'-ylamino]benzonitrile (CID 165069557) is 9-N',15-N'-bis(6-cyclohexyldibenzofuran-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-cyclohexyldibenzofuran-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;N-(6-cyclohexyldibenzofuran-4-yl)-N-(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'-amine;4-[(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'-ylamino]benzonitrile.

What is the SMILES notation for 9-N',15-N'-bis(6-cyclohexyldibenzofuran-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-cyclohexyldibenzofuran-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;N-(6-cyclohexyldibenzofuran-4-yl)-N-(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'-amine;4-[(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'-ylamino]benzonitrile?

The canonical SMILES for 9-N',15-N'-bis(6-cyclohexyldibenzofuran-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-cyclohexyldibenzofuran-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;N-(6-cyclohexyldibenzofuran-4-yl)-N-(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'-amine;4-[(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'-ylamino]benzonitrile is Cc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C)cc4)c4cccc5c4oc4c(C6CCCCC6)cccc45)c4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.Fc1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.N#Cc1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.c1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccccc4)c4cccc5c4oc4c(C6CCCCC6)cccc45)c4ccccc24)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(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-cyclohexyldibenzofuran-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;N-(6-cyclohexyldibenzofuran-4-yl)-N-(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'-amine;4-[(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'-ylamino]benzonitrile?

The InChIKey is SNNQHZCBQICDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H69N3O2.C87H65N3O2.C64H43N3O.C63H43FN2O/c1-54-44-48-58(49-45-54)90(78-42-20-36-70-68-34-17-31-60(85(68)93-87(70)78)56-22-5-3-6-23-56)80-52-74-82(65-29-11-9-26-62(65)80)83-66-30-12-10-27-63(66)81(53-75(83)89(74)72-38-14-16-41-77(72)92-76-40-15-13-28-64(76)67-33-19-39-73(89)84(67)92)91(59-50-46-55(2)47-51-59)79-43-21-37-71-69-35-18-32-61(86(69)94-88(71)79)57-24-7-4-8-25-57;1-5-26-54(27-6-1)58-39-21-42-66-68-44-24-50-76(85(68)91-83(58)66)88(56-30-9-3-10-31-56)78-52-72-80(63-37-15-13-34-60(63)78)81-64-38-16-14-35-61(64)79(53-73(81)87(72)70-46-18-20-49-75(70)90-74-48-19-17-36-62(74)65-41-23-47-71(87)82(65)90)89(57-32-11-4-12-33-57)77-51-25-45-69-67-43-22-40-59(84(67)92-86(69)77)55-28-7-2-8-29-55;65-38-39-31-34-42(35-32-39)66(57-30-14-25-50-49-24-12-22-44(62(49)68-63(50)57)40-15-2-1-3-16-40)58-37-54-60(47-21-7-6-19-45(47)58)59-43-18-5-4-17-41(43)33-36-52(59)64(54)51-26-9-11-29-56(51)67-55-28-10-8-20-46(55)48-23-13-27-53(64)61(48)67;64-40-32-34-41(35-33-40)65(56-30-14-25-49-48-24-12-22-43(61(48)67-62(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)66-54-28-10-8-20-45(54)47-23-13-27-52(63)60(47)66/h9-21,26-53,56-57H,3-8,22-25H2,1-2H3;3-4,9-25,30-55H,1-2,5-8,26-29H2;4-14,17-37,40H,1-3,15-16H2;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(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-cyclohexyldibenzofuran-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;N-(6-cyclohexyldibenzofuran-4-yl)-N-(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'-amine;4-[(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'-ylamino]benzonitrile?

9-N',15-N'-bis(6-cyclohexyldibenzofuran-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-cyclohexyldibenzofuran-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;N-(6-cyclohexyldibenzofuran-4-yl)-N-(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'-amine;4-[(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'-ylamino]benzonitrile has a molecular weight of 4130.16 g/mol, XLogP of 84.20, 24 rotatable bonds, 0 hydrogen bond donors, and 17 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(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-cyclohexyldibenzofuran-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;N-(6-cyclohexyldibenzofuran-4-yl)-N-(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'-amine;4-[(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'-ylamino]benzonitrile is sourced from PubChem (CID 165069557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).