5-N,11-N-bis(3,4-dimethylphenyl)-5-N,11-N-bis(4-pyridin-2-ylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-indeno[2,1-b]pyridine]-5,11-diamine;2-[(6-tert-butyldibenzofuran-3-yl)-[11-(N-(6-tert-butyldibenzofuran-3-yl)-2-cyanoanilino)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-6-yl]amino]benzonitrile;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;1'-fluoro-5-N,17-N,9-triphenyl-5-N,17-N-dipyridin-2-ylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene-14,9'-fluorene]-5,17-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine

C388H274F6N20O4S2 — CID 158769370

About 5-N,11-N-bis(3,4-dimethylphenyl)-5-N,11-N-bis(4-pyridin-2-ylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-indeno[2,1-b]pyridine]-5,11-diamine;2-[(6-tert-butyldibenzofuran-3-yl)-[11-(N-(6-tert-butyldibenzofuran-3-yl)-2-cyanoanilino)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-6-yl]amino]benzonitrile;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;1'-fluoro-5-N,17-N,9-triphenyl-5-N,17-N-dipyridin-2-ylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene-14,9'-fluorene]-5,17-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine

5-N,11-N-bis(3,4-dimethylphenyl)-5-N,11-N-bis(4-pyridin-2-ylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-indeno[2,1-b]pyridine]-5,11-diamine;2-[(6-tert-butyldibenzofuran-3-yl)-[11-(N-(6-tert-butyldibenzofuran-3-yl)-2-cyanoanilino)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-6-yl]amino]benzonitrile;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;1'-fluoro-5-N,17-N,9-triphenyl-5-N,17-N-dipyridin-2-ylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene-14,9'-fluorene]-5,17-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine (PubChem CID 158769370) has the molecular formula C388H274F6N20O4S2 and a molecular weight of 5468.78 g/mol. Its IUPAC name is 5-N,11-N-bis(3,4-dimethylphenyl)-5-N,11-N-bis(4-pyridin-2-ylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-indeno[2,1-b]pyridine]-5,11-diamine;2-[(6-tert-butyldibenzofuran-3-yl)-[11-(N-(6-tert-butyldibenzofuran-3-yl)-2-cyanoanilino)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-6-yl]amino]benzonitrile;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;1'-fluoro-5-N,17-N,9-triphenyl-5-N,17-N-dipyridin-2-ylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene-14,9'-fluorene]-5,17-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine.

Molecular Properties

• Compound Name: 5-N,11-N-bis(3,4-dimethylphenyl)-5-N,11-N-bis(4-pyridin-2-ylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-indeno[2,1-b]pyridine]-5,11-diamine;2-[(6-tert-butyldibenzofuran-3-yl)-[11-(N-(6-tert-butyldibenzofuran-3-yl)-2-cyanoanilino)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-6-yl]amino]benzonitrile;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;1'-fluoro-5-N,17-N,9-triphenyl-5-N,17-N-dipyridin-2-ylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene-14,9'-fluorene]-5,17-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine
• PubChem CID: 158769370
• Molecular Formula: C388H274F6N20O4S2
• Molecular Weight: 5468.78 g/mol
• Exact Mass: 5464.18
• IUPAC Name: 5-N,11-N-bis(3,4-dimethylphenyl)-5-N,11-N-bis(4-pyridin-2-ylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-indeno[2,1-b]pyridine]-5,11-diamine;2-[(6-tert-butyldibenzofuran-3-yl)-[11-(N-(6-tert-butyldibenzofuran-3-yl)-2-cyanoanilino)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-6-yl]amino]benzonitrile;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;1'-fluoro-5-N,17-N,9-triphenyl-5-N,17-N-dipyridin-2-ylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene-14,9'-fluorene]-5,17-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine
• SMILES: CC(C)(C)c1cccc2c1oc1cc(N(c3ccc4c(c3)sc3c(N(c5ccc6c(c5)oc5c(C(C)(C)C)cccc56)c5ccccc5C#N)cc5c(c34)-c3ccccc3C53c4ccccc4-c4ccccc43)c3ccccc3C#N)ccc12.Cc1ccc(N(c2ccc(-c3ccccn3)cc2)c2ccc3oc4c(N(c5ccc(-c6ccccn6)cc5)c5ccc(C)c(C)c5)cc5c(c4c3c2)-c2ccccc2C52c3ccccc3-c3cccnc32)cc1C.Cc1ccc(N(c2ccccc2)c2c3c(cc4c2sc2cc(N(c5ccccc5)c5ccc(C(F)(F)F)c6ccccc56)ccc24)C(C)(C)c2c-3ccc3ccccc23)c2ccccc12.Fc1cc(-c2ccccc2)ccc1N(c1ccccc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc3c(oc4c5ccccc5ccc34)c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3F)c1-2.Fc1cccc2c1C1(c3ccccc3-2)c2cc(N(c3ccccc3)c3ccccn3)ccc2-c2c1ccc1c2c2cc(N(c3ccccc3)c3ccccn3)ccc2n1-c1ccccc1.[2H]c1c([2H])c([2H])c(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2cc4c(c(N(c5ccc(C)cc5)c5c([2H])c([2H])c([2H])c([2H])c5[2H])c2-3)C(C)(C)c2ccc3ccccc3c2-4)c([2H])c1[2H]
• InChI: InChI=1S/C77H54N4O2S.C71H46F2N2O.C68H49N5O.C59H41F3N2S.C59H38FN5.C54H46N2/c1-75(2,3)61-29-17-24-54-52-36-33-47(39-67(52)82-72(54)61)80(64-31-15-7-19-45(64)43-78)49-35-38-57-69(41-49)84-74-66(42-63-70(71(57)74)56-23-11-14-28-60(56)77(63)58-26-12-9-21-50(58)51-22-10-13-27-59(51)77)81(65-32-16-8-20-46(65)44-79)48-34-37-53-55-25-18-30-62(76(4,5)6)73(55)83-68(53)40-48;72-63-32-18-19-33-65(63)75(55-38-34-49(35-39-55)47-20-6-1-7-21-47)68-67-59-42-40-56(74(54-29-14-5-15-30-54)66-43-37-51(44-64(66)73)48-22-8-2-9-23-48)45-61(59)71(52-25-10-3-11-26-52,53-27-12-4-13-28-53)62(67)46-60-58-41-36-50-24-16-17-31-57(50)69(58)76-70(60)68;1-42-21-27-50(38-44(42)3)72(48-29-23-46(24-30-48)60-19-9-11-35-69-60)52-33-34-63-56(40-52)65-64-55-15-6-8-18-58(55)68(57-17-7-5-14-53(57)54-16-13-37-71-67(54)68)59(64)41-62(66(65)74-63)73(51-28-22-43(2)45(4)39-51)49-31-25-47(26-32-49)61-20-10-12-36-70-61;1-36-26-32-52(44-24-14-12-21-41(36)44)64(39-19-8-5-9-20-39)56-54-47-29-27-37-16-10-11-22-42(37)55(47)58(2,3)50(54)35-48-46-30-28-40(34-53(46)65-57(48)56)63(38-17-6-4-7-18-38)51-33-31-49(59(60,61)62)43-23-13-15-25-45(43)51;60-51-26-16-24-45-44-23-10-11-25-48(44)59(58(45)51)49-32-34-53-57(56(49)46-31-29-43(38-50(46)59)64(40-19-6-2-7-20-40)55-28-13-15-36-62-55)47-37-42(30-33-52(47)65(53)41-21-8-3-9-22-41)63(39-17-4-1-5-18-39)54-27-12-14-35-61-54;1-35-21-26-40(27-22-35)55(38-16-9-7-10-17-38)42-30-31-44-47(33-42)53(3,4)48-34-45-49-43-20-14-13-15-37(43)25-32-46(49)54(5,6)51(45)52(50(44)48)56(39-18-11-8-12-19-39)41-28-23-36(2)24-29-41/h7-42H,1-6H3;1-46H;5-41H,1-4H3;4-35H,1-3H3;1-38H;7-34H,1-6H3/i;;;;;7D,8D,9D,10D,11D,12D,16D,17D,18D,19D
• InChIKey: IPRCJASDJMFIMD-JCWSPICLSA-N
• XLogP: 106.84
• TPSA: 208.40 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 43
• Heavy Atoms: 420
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5468.78
LogP ≤ 5	106.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 5-N,11-N-bis(3,4-dimethylphenyl)-5-N,11-N-bis(4-pyridin-2-ylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-indeno[2,1-b]pyridine]-5,11-diamine;2-[(6-tert-butyldibenzofuran-3-yl)-[11-(N-(6-tert-butyldibenzofuran-3-yl)-2-cyanoanilino)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-6-yl]amino]benzonitrile;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;1'-fluoro-5-N,17-N,9-triphenyl-5-N,17-N-dipyridin-2-ylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene-14,9'-fluorene]-5,17-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine?

The IUPAC name of 5-N,11-N-bis(3,4-dimethylphenyl)-5-N,11-N-bis(4-pyridin-2-ylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-indeno[2,1-b]pyridine]-5,11-diamine;2-[(6-tert-butyldibenzofuran-3-yl)-[11-(N-(6-tert-butyldibenzofuran-3-yl)-2-cyanoanilino)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-6-yl]amino]benzonitrile;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;1'-fluoro-5-N,17-N,9-triphenyl-5-N,17-N-dipyridin-2-ylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene-14,9'-fluorene]-5,17-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine (CID 158769370) is 5-N,11-N-bis(3,4-dimethylphenyl)-5-N,11-N-bis(4-pyridin-2-ylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-indeno[2,1-b]pyridine]-5,11-diamine;2-[(6-tert-butyldibenzofuran-3-yl)-[11-(N-(6-tert-butyldibenzofuran-3-yl)-2-cyanoanilino)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-6-yl]amino]benzonitrile;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;1'-fluoro-5-N,17-N,9-triphenyl-5-N,17-N-dipyridin-2-ylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene-14,9'-fluorene]-5,17-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine.

What is the SMILES notation for 5-N,11-N-bis(3,4-dimethylphenyl)-5-N,11-N-bis(4-pyridin-2-ylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-indeno[2,1-b]pyridine]-5,11-diamine;2-[(6-tert-butyldibenzofuran-3-yl)-[11-(N-(6-tert-butyldibenzofuran-3-yl)-2-cyanoanilino)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-6-yl]amino]benzonitrile;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;1'-fluoro-5-N,17-N,9-triphenyl-5-N,17-N-dipyridin-2-ylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene-14,9'-fluorene]-5,17-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine?

The canonical SMILES for 5-N,11-N-bis(3,4-dimethylphenyl)-5-N,11-N-bis(4-pyridin-2-ylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-indeno[2,1-b]pyridine]-5,11-diamine;2-[(6-tert-butyldibenzofuran-3-yl)-[11-(N-(6-tert-butyldibenzofuran-3-yl)-2-cyanoanilino)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-6-yl]amino]benzonitrile;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;1'-fluoro-5-N,17-N,9-triphenyl-5-N,17-N-dipyridin-2-ylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene-14,9'-fluorene]-5,17-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine is CC(C)(C)c1cccc2c1oc1cc(N(c3ccc4c(c3)sc3c(N(c5ccc6c(c5)oc5c(C(C)(C)C)cccc56)c5ccccc5C#N)cc5c(c34)-c3ccccc3C53c4ccccc4-c4ccccc43)c3ccccc3C#N)ccc12.Cc1ccc(N(c2ccc(-c3ccccn3)cc2)c2ccc3oc4c(N(c5ccc(-c6ccccn6)cc5)c5ccc(C)c(C)c5)cc5c(c4c3c2)-c2ccccc2C52c3ccccc3-c3cccnc32)cc1C.Cc1ccc(N(c2ccccc2)c2c3c(cc4c2sc2cc(N(c5ccccc5)c5ccc(C(F)(F)F)c6ccccc56)ccc24)C(C)(C)c2c-3ccc3ccccc23)c2ccccc12.Fc1cc(-c2ccccc2)ccc1N(c1ccccc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc3c(oc4c5ccccc5ccc34)c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3F)c1-2.Fc1cccc2c1C1(c3ccccc3-2)c2cc(N(c3ccccc3)c3ccccn3)ccc2-c2c1ccc1c2c2cc(N(c3ccccc3)c3ccccn3)ccc2n1-c1ccccc1.[2H]c1c([2H])c([2H])c(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2cc4c(c(N(c5ccc(C)cc5)c5c([2H])c([2H])c([2H])c([2H])c5[2H])c2-3)C(C)(C)c2ccc3ccccc3c2-4)c([2H])c1[2H].

What is the InChIKey of 5-N,11-N-bis(3,4-dimethylphenyl)-5-N,11-N-bis(4-pyridin-2-ylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-indeno[2,1-b]pyridine]-5,11-diamine;2-[(6-tert-butyldibenzofuran-3-yl)-[11-(N-(6-tert-butyldibenzofuran-3-yl)-2-cyanoanilino)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-6-yl]amino]benzonitrile;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;1'-fluoro-5-N,17-N,9-triphenyl-5-N,17-N-dipyridin-2-ylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene-14,9'-fluorene]-5,17-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine?

The InChIKey is IPRCJASDJMFIMD-JCWSPICLSA-N. The full InChI is InChI=1S/C77H54N4O2S.C71H46F2N2O.C68H49N5O.C59H41F3N2S.C59H38FN5.C54H46N2/c1-75(2,3)61-29-17-24-54-52-36-33-47(39-67(52)82-72(54)61)80(64-31-15-7-19-45(64)43-78)49-35-38-57-69(41-49)84-74-66(42-63-70(71(57)74)56-23-11-14-28-60(56)77(63)58-26-12-9-21-50(58)51-22-10-13-27-59(51)77)81(65-32-16-8-20-46(65)44-79)48-34-37-53-55-25-18-30-62(76(4,5)6)73(55)83-68(53)40-48;72-63-32-18-19-33-65(63)75(55-38-34-49(35-39-55)47-20-6-1-7-21-47)68-67-59-42-40-56(74(54-29-14-5-15-30-54)66-43-37-51(44-64(66)73)48-22-8-2-9-23-48)45-61(59)71(52-25-10-3-11-26-52,53-27-12-4-13-28-53)62(67)46-60-58-41-36-50-24-16-17-31-57(50)69(58)76-70(60)68;1-42-21-27-50(38-44(42)3)72(48-29-23-46(24-30-48)60-19-9-11-35-69-60)52-33-34-63-56(40-52)65-64-55-15-6-8-18-58(55)68(57-17-7-5-14-53(57)54-16-13-37-71-67(54)68)59(64)41-62(66(65)74-63)73(51-28-22-43(2)45(4)39-51)49-31-25-47(26-32-49)61-20-10-12-36-70-61;1-36-26-32-52(44-24-14-12-21-41(36)44)64(39-19-8-5-9-20-39)56-54-47-29-27-37-16-10-11-22-42(37)55(47)58(2,3)50(54)35-48-46-30-28-40(34-53(46)65-57(48)56)63(38-17-6-4-7-18-38)51-33-31-49(59(60,61)62)43-23-13-15-25-45(43)51;60-51-26-16-24-45-44-23-10-11-25-48(44)59(58(45)51)49-32-34-53-57(56(49)46-31-29-43(38-50(46)59)64(40-19-6-2-7-20-40)55-28-13-15-36-62-55)47-37-42(30-33-52(47)65(53)41-21-8-3-9-22-41)63(39-17-4-1-5-18-39)54-27-12-14-35-61-54;1-35-21-26-40(27-22-35)55(38-16-9-7-10-17-38)42-30-31-44-47(33-42)53(3,4)48-34-45-49-43-20-14-13-15-37(43)25-32-46(49)54(5,6)51(45)52(50(44)48)56(39-18-11-8-12-19-39)41-28-23-36(2)24-29-41/h7-42H,1-6H3;1-46H;5-41H,1-4H3;4-35H,1-3H3;1-38H;7-34H,1-6H3/i;;;;;7D,8D,9D,10D,11D,12D,16D,17D,18D,19D.

What are the key properties of 5-N,11-N-bis(3,4-dimethylphenyl)-5-N,11-N-bis(4-pyridin-2-ylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-indeno[2,1-b]pyridine]-5,11-diamine;2-[(6-tert-butyldibenzofuran-3-yl)-[11-(N-(6-tert-butyldibenzofuran-3-yl)-2-cyanoanilino)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-6-yl]amino]benzonitrile;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;1'-fluoro-5-N,17-N,9-triphenyl-5-N,17-N-dipyridin-2-ylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene-14,9'-fluorene]-5,17-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine?

5-N,11-N-bis(3,4-dimethylphenyl)-5-N,11-N-bis(4-pyridin-2-ylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-indeno[2,1-b]pyridine]-5,11-diamine;2-[(6-tert-butyldibenzofuran-3-yl)-[11-(N-(6-tert-butyldibenzofuran-3-yl)-2-cyanoanilino)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-6-yl]amino]benzonitrile;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;1'-fluoro-5-N,17-N,9-triphenyl-5-N,17-N-dipyridin-2-ylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene-14,9'-fluorene]-5,17-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine has a molecular weight of 5468.78 g/mol, XLogP of 106.84, 43 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,11-N-bis(3,4-dimethylphenyl)-5-N,11-N-bis(4-pyridin-2-ylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-indeno[2,1-b]pyridine]-5,11-diamine;2-[(6-tert-butyldibenzofuran-3-yl)-[11-(N-(6-tert-butyldibenzofuran-3-yl)-2-cyanoanilino)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-6-yl]amino]benzonitrile;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;1'-fluoro-5-N,17-N,9-triphenyl-5-N,17-N-dipyridin-2-ylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene-14,9'-fluorene]-5,17-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine is sourced from PubChem (CID 158769370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).