4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-propan-2-ylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-trimethylsilylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-methylanilino)benzonitrile;10-N,18-N-diphenyl-10-N,18-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,10-N,18-N,18-N-tetrakis(2-methyl-5-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine

C318H213N21O6Si — CID 159855026

About 4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-propan-2-ylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-trimethylsilylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-methylanilino)benzonitrile;10-N,18-N-diphenyl-10-N,18-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,10-N,18-N,18-N-tetrakis(2-methyl-5-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine

4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-propan-2-ylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-trimethylsilylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-methylanilino)benzonitrile;10-N,18-N-diphenyl-10-N,18-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,10-N,18-N,18-N-tetrakis(2-methyl-5-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine (PubChem CID 159855026) has the molecular formula C318H213N21O6Si and a molecular weight of 4452.43 g/mol. Its IUPAC name is 4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-propan-2-ylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-trimethylsilylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-methylanilino)benzonitrile;10-N,18-N-diphenyl-10-N,18-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,10-N,18-N,18-N-tetrakis(2-methyl-5-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine.

Molecular Properties

• Compound Name: 4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-propan-2-ylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-trimethylsilylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-methylanilino)benzonitrile;10-N,18-N-diphenyl-10-N,18-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,10-N,18-N,18-N-tetrakis(2-methyl-5-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine
• PubChem CID: 159855026
• Molecular Formula: C318H213N21O6Si
• Molecular Weight: 4452.43 g/mol
• Exact Mass: 4448.68
• IUPAC Name: 4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-propan-2-ylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-trimethylsilylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-methylanilino)benzonitrile;10-N,18-N-diphenyl-10-N,18-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,10-N,18-N,18-N-tetrakis(2-methyl-5-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine
• SMILES: CC(C)c1ccc(N(c2ccc(C#N)cc2)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6ccc(C#N)cc6)c6ccc(C(C)C)cc6)cc6c7ccccc7oc6c5n3c24)cc1.Cc1ccc(-c2ccccc2)cc1N(c1cc(-c2ccccc2)ccc1C)c1c2ccccc2cc2c1c1cccc3c4c(N(c5cc(-c6ccccc6)ccc5C)c5cc(-c6ccccc6)ccc5C)c5ccccc5cc4n2c13.Cc1ccc(N(c2ccc(C#N)cc2)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6ccc(C#N)cc6)c6ccc([Si](C)(C)C)cc6)cc6c7ccccc7oc6c5n3c24)cc1.N#Cc1ccc(N(c2ccccc2)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6ccccc6)c6ccc(C#N)cc6)cc6c7ccccc7oc6c5n3c24)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3c4ccccc4cc4c3c3cccc5c6c(N(c7ccccc7)c7cccc(-c8ccccc8)c7)c7ccccc7cc6n4c35)c2)cc1
• InChI: InChI=1S/C78H57N3.C62H43N5O2.C62H41N3.C60H41N5O2Si.C56H31N5O2/c1-50-36-40-58(54-22-9-5-10-23-54)44-68(50)79(69-45-59(41-37-51(69)2)55-24-11-6-12-25-55)77-64-32-19-17-30-62(64)48-72-74(77)66-34-21-35-67-75-73(81(72)76(66)67)49-63-31-18-20-33-65(63)78(75)80(70-46-60(42-38-52(70)3)56-26-13-7-14-27-56)71-47-61(43-39-53(71)4)57-28-15-8-16-29-57;1-36(2)40-20-28-44(29-21-40)65(42-24-16-38(34-63)17-25-42)52-32-50-46-10-5-7-14-54(46)68-61(50)59-56(52)48-12-9-13-49-57-53(33-51-47-11-6-8-15-55(47)69-62(51)60(57)67(59)58(48)49)66(43-26-18-39(35-64)19-27-43)45-30-22-41(23-31-45)37(3)4;1-5-20-42(21-6-1)44-26-17-32-50(38-44)63(48-28-9-3-10-29-48)61-52-34-15-13-24-46(52)40-56-58(61)54-36-19-37-55-59-57(65(56)60(54)55)41-47-25-14-16-35-53(47)62(59)64(49-30-11-4-12-31-49)51-33-18-27-45(39-51)43-22-7-2-8-23-43;1-36-16-22-39(23-17-36)63(40-24-18-37(34-61)19-25-40)50-32-48-44-10-5-7-14-52(44)66-59(48)57-54(50)46-12-9-13-47-55-51(33-49-45-11-6-8-15-53(45)67-60(49)58(55)65(57)56(46)47)64(41-26-20-38(35-62)21-27-41)42-28-30-43(31-29-42)68(2,3)4;57-32-34-22-26-38(27-23-34)59(36-12-3-1-4-13-36)46-30-44-40-16-7-9-20-48(40)62-55(44)53-50(46)42-18-11-19-43-51-47(60(37-14-5-2-6-15-37)39-28-24-35(33-58)25-29-39)31-45-41-17-8-10-21-49(41)63-56(45)54(51)61(53)52(42)43/h5-49H,1-4H3;5-33,36-37H,1-4H3;1-41H;5-33H,1-4H3;1-31H
• InChIKey: NQKNHTDNUHKSGZ-UHFFFAOYSA-N
• XLogP: 88.46
• TPSA: 276.03 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 39
• Heavy Atoms: 346
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4452.43
LogP ≤ 5	88.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-propan-2-ylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-trimethylsilylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-methylanilino)benzonitrile;10-N,18-N-diphenyl-10-N,18-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,10-N,18-N,18-N-tetrakis(2-methyl-5-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine?

The IUPAC name of 4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-propan-2-ylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-trimethylsilylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-methylanilino)benzonitrile;10-N,18-N-diphenyl-10-N,18-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,10-N,18-N,18-N-tetrakis(2-methyl-5-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine (CID 159855026) is 4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-propan-2-ylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-trimethylsilylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-methylanilino)benzonitrile;10-N,18-N-diphenyl-10-N,18-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,10-N,18-N,18-N-tetrakis(2-methyl-5-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine.

What is the SMILES notation for 4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-propan-2-ylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-trimethylsilylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-methylanilino)benzonitrile;10-N,18-N-diphenyl-10-N,18-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,10-N,18-N,18-N-tetrakis(2-methyl-5-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine?

The canonical SMILES for 4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-propan-2-ylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-trimethylsilylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-methylanilino)benzonitrile;10-N,18-N-diphenyl-10-N,18-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,10-N,18-N,18-N-tetrakis(2-methyl-5-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine is CC(C)c1ccc(N(c2ccc(C#N)cc2)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6ccc(C#N)cc6)c6ccc(C(C)C)cc6)cc6c7ccccc7oc6c5n3c24)cc1.Cc1ccc(-c2ccccc2)cc1N(c1cc(-c2ccccc2)ccc1C)c1c2ccccc2cc2c1c1cccc3c4c(N(c5cc(-c6ccccc6)ccc5C)c5cc(-c6ccccc6)ccc5C)c5ccccc5cc4n2c13.Cc1ccc(N(c2ccc(C#N)cc2)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6ccc(C#N)cc6)c6ccc([Si](C)(C)C)cc6)cc6c7ccccc7oc6c5n3c24)cc1.N#Cc1ccc(N(c2ccccc2)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6ccccc6)c6ccc(C#N)cc6)cc6c7ccccc7oc6c5n3c24)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3c4ccccc4cc4c3c3cccc5c6c(N(c7ccccc7)c7cccc(-c8ccccc8)c7)c7ccccc7cc6n4c35)c2)cc1.

What is the InChIKey of 4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-propan-2-ylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-trimethylsilylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-methylanilino)benzonitrile;10-N,18-N-diphenyl-10-N,18-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,10-N,18-N,18-N-tetrakis(2-methyl-5-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine?

The InChIKey is NQKNHTDNUHKSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H57N3.C62H43N5O2.C62H41N3.C60H41N5O2Si.C56H31N5O2/c1-50-36-40-58(54-22-9-5-10-23-54)44-68(50)79(69-45-59(41-37-51(69)2)55-24-11-6-12-25-55)77-64-32-19-17-30-62(64)48-72-74(77)66-34-21-35-67-75-73(81(72)76(66)67)49-63-31-18-20-33-65(63)78(75)80(70-46-60(42-38-52(70)3)56-26-13-7-14-27-56)71-47-61(43-39-53(71)4)57-28-15-8-16-29-57;1-36(2)40-20-28-44(29-21-40)65(42-24-16-38(34-63)17-25-42)52-32-50-46-10-5-7-14-54(46)68-61(50)59-56(52)48-12-9-13-49-57-53(33-51-47-11-6-8-15-55(47)69-62(51)60(57)67(59)58(48)49)66(43-26-18-39(35-64)19-27-43)45-30-22-41(23-31-45)37(3)4;1-5-20-42(21-6-1)44-26-17-32-50(38-44)63(48-28-9-3-10-29-48)61-52-34-15-13-24-46(52)40-56-58(61)54-36-19-37-55-59-57(65(56)60(54)55)41-47-25-14-16-35-53(47)62(59)64(49-30-11-4-12-31-49)51-33-18-27-45(39-51)43-22-7-2-8-23-43;1-36-16-22-39(23-17-36)63(40-24-18-37(34-61)19-25-40)50-32-48-44-10-5-7-14-52(44)66-59(48)57-54(50)46-12-9-13-47-55-51(33-49-45-11-6-8-15-53(45)67-60(49)58(55)65(57)56(46)47)64(41-26-20-38(35-62)21-27-41)42-28-30-43(31-29-42)68(2,3)4;57-32-34-22-26-38(27-23-34)59(36-12-3-1-4-13-36)46-30-44-40-16-7-9-20-48(40)62-55(44)53-50(46)42-18-11-19-43-51-47(60(37-14-5-2-6-15-37)39-28-24-35(33-58)25-29-39)31-45-41-17-8-10-21-49(41)63-56(45)54(51)61(53)52(42)43/h5-49H,1-4H3;5-33,36-37H,1-4H3;1-41H;5-33H,1-4H3;1-31H.

What are the key properties of 4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-propan-2-ylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-trimethylsilylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-methylanilino)benzonitrile;10-N,18-N-diphenyl-10-N,18-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,10-N,18-N,18-N-tetrakis(2-methyl-5-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine?

4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-propan-2-ylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-trimethylsilylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-methylanilino)benzonitrile;10-N,18-N-diphenyl-10-N,18-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,10-N,18-N,18-N-tetrakis(2-methyl-5-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine has a molecular weight of 4452.43 g/mol, XLogP of 88.46, 39 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-propan-2-ylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[21-(4-cyano-N-(4-trimethylsilylphenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]-4-methylanilino)benzonitrile;10-N,18-N-diphenyl-10-N,18-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,10-N,18-N,18-N-tetrakis(2-methyl-5-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine is sourced from PubChem (CID 159855026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).