2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-isocyano-4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,3-dicarbonitrile;3-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;4-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(13-phenyl-31-oxa-13,22-diazaoctacyclo[15.14.0.02,14.03,12.04,9.018,30.021,29.023,28]hentriaconta-1(17),2(14),3(12),4,6,8,10,15,18(30),19,21(29),23,25,27-tetradecaen-22-yl)benzene-1,2-dicarbonitrile

C285H151N31O7 — CID 160729651

About 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-isocyano-4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,3-dicarbonitrile;3-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;4-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(13-phenyl-31-oxa-13,22-diazaoctacyclo[15.14.0.02,14.03,12.04,9.018,30.021,29.023,28]hentriaconta-1(17),2(14),3(12),4,6,8,10,15,18(30),19,21(29),23,25,27-tetradecaen-22-yl)benzene-1,2-dicarbonitrile

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-isocyano-4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,3-dicarbonitrile;3-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;4-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(13-phenyl-31-oxa-13,22-diazaoctacyclo[15.14.0.02,14.03,12.04,9.018,30.021,29.023,28]hentriaconta-1(17),2(14),3(12),4,6,8,10,15,18(30),19,21(29),23,25,27-tetradecaen-22-yl)benzene-1,2-dicarbonitrile (PubChem CID 160729651) has the molecular formula C285H151N31O7 and a molecular weight of 4121.55 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-isocyano-4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,3-dicarbonitrile;3-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;4-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(13-phenyl-31-oxa-13,22-diazaoctacyclo[15.14.0.02,14.03,12.04,9.018,30.021,29.023,28]hentriaconta-1(17),2(14),3(12),4,6,8,10,15,18(30),19,21(29),23,25,27-tetradecaen-22-yl)benzene-1,2-dicarbonitrile.

Molecular Properties

• Compound Name: 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-isocyano-4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,3-dicarbonitrile;3-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;4-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(13-phenyl-31-oxa-13,22-diazaoctacyclo[15.14.0.02,14.03,12.04,9.018,30.021,29.023,28]hentriaconta-1(17),2(14),3(12),4,6,8,10,15,18(30),19,21(29),23,25,27-tetradecaen-22-yl)benzene-1,2-dicarbonitrile
• PubChem CID: 160729651
• Molecular Formula: C285H151N31O7
• Molecular Weight: 4121.55 g/mol
• Exact Mass: 4118.24
• IUPAC Name: 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-isocyano-4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,3-dicarbonitrile;3-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;4-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(13-phenyl-31-oxa-13,22-diazaoctacyclo[15.14.0.02,14.03,12.04,9.018,30.021,29.023,28]hentriaconta-1(17),2(14),3(12),4,6,8,10,15,18(30),19,21(29),23,25,27-tetradecaen-22-yl)benzene-1,2-dicarbonitrile
• SMILES: N#Cc1cc(-n2c3ccccc3c3c4oc5c(ccc6c5c5ccccc5n6-c5ccccc5)c4ccc32)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.N#Cc1ccc(-n2c3ccccc3c3c4oc5c(ccc6c5c5c7ccccc7ccc5n6-c5ccccc5)c4ccc32)cc1C#N.N#Cc1ccc(-n2c3ccccc3c3c4oc5c(ccc6c5c5ccccc5n6-c5ccccc5)c4ccc32)cc1C#N.N#Cc1cccc(-n2c3ccccc3c3c4oc5c(ccc6c5c5ccccc5n6-c5ccccc5)c4ccc32)c1C#N.[C-]#[N+]c1cc(C#N)cc(C#N)c1-n1c2ccccc2c2c3oc4c(ccc5c4c4ccccc4n5-c4ccccc4)c3ccc21.[C-]#[N+]c1ccc(C#N)cc1-n1c2ccccc2c2c3oc4c(ccc5c4c4ccccc4n5-c4ccccc4)c3ccc21.[C-]#[N+]c1cccc(C#N)c1-n1c2ccccc2c2c3oc4c(ccc5c4c4ccccc4n5-c4ccccc4)c3ccc21
• InChI: InChI=1S/C52H30N6O.C42H22N4O.C39H19N5O.4C38H20N4O/c53-31-34-30-36(24-25-37(34)52-55-50(32-14-4-1-5-15-32)54-51(56-52)33-16-6-2-7-17-33)58-43-23-13-11-21-41(43)47-45(58)29-27-39-38-26-28-44-46(48(38)59-49(39)47)40-20-10-12-22-42(40)57(44)35-18-8-3-9-19-35;43-23-26-14-16-29(22-27(26)24-44)46-34-13-7-6-12-33(34)39-36(46)20-17-31-32-18-21-37-40(42(32)47-41(31)39)38-30-11-5-4-8-25(30)15-19-35(38)45(37)28-9-2-1-3-10-28;1-42-30-20-23(21-40)19-24(22-41)37(30)44-32-14-8-6-12-29(32)36-34(44)18-16-27-26-15-17-33-35(38(26)45-39(27)36)28-11-5-7-13-31(28)43(33)25-9-3-2-4-10-25;1-40-29-15-9-10-23(22-39)36(29)42-31-17-8-6-14-28(31)35-33(42)21-19-26-25-18-20-32-34(37(25)43-38(26)35)27-13-5-7-16-30(27)41(32)24-11-3-2-4-12-24;1-40-29-18-15-23(22-39)21-34(29)42-31-14-8-6-12-28(31)36-33(42)20-17-26-25-16-19-32-35(37(25)43-38(26)36)27-11-5-7-13-30(27)41(32)24-9-3-2-4-10-24;39-21-23-9-8-16-32(29(23)22-40)42-31-15-7-5-13-28(31)36-34(42)20-18-26-25-17-19-33-35(37(25)43-38(26)36)27-12-4-6-14-30(27)41(33)24-10-2-1-3-11-24;39-21-23-14-15-26(20-24(23)22-40)42-32-13-7-5-11-30(32)36-34(42)19-17-28-27-16-18-33-35(37(27)43-38(28)36)29-10-4-6-12-31(29)41(33)25-8-2-1-3-9-25/h1-30H;1-22H;2-20H;2*2-21H;2*1-20H
• InChIKey: RUDYGEIVJDUSAS-UHFFFAOYSA-N
• XLogP: 73.04
• TPSA: 474.44 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 17
• Heavy Atoms: 323
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4121.55
LogP ≤ 5	73.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-isocyano-4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,3-dicarbonitrile;3-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;4-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(13-phenyl-31-oxa-13,22-diazaoctacyclo[15.14.0.02,14.03,12.04,9.018,30.021,29.023,28]hentriaconta-1(17),2(14),3(12),4,6,8,10,15,18(30),19,21(29),23,25,27-tetradecaen-22-yl)benzene-1,2-dicarbonitrile?

The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-isocyano-4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,3-dicarbonitrile;3-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;4-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(13-phenyl-31-oxa-13,22-diazaoctacyclo[15.14.0.02,14.03,12.04,9.018,30.021,29.023,28]hentriaconta-1(17),2(14),3(12),4,6,8,10,15,18(30),19,21(29),23,25,27-tetradecaen-22-yl)benzene-1,2-dicarbonitrile (CID 160729651) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-isocyano-4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,3-dicarbonitrile;3-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;4-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(13-phenyl-31-oxa-13,22-diazaoctacyclo[15.14.0.02,14.03,12.04,9.018,30.021,29.023,28]hentriaconta-1(17),2(14),3(12),4,6,8,10,15,18(30),19,21(29),23,25,27-tetradecaen-22-yl)benzene-1,2-dicarbonitrile.

What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-isocyano-4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,3-dicarbonitrile;3-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;4-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(13-phenyl-31-oxa-13,22-diazaoctacyclo[15.14.0.02,14.03,12.04,9.018,30.021,29.023,28]hentriaconta-1(17),2(14),3(12),4,6,8,10,15,18(30),19,21(29),23,25,27-tetradecaen-22-yl)benzene-1,2-dicarbonitrile?

The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-isocyano-4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,3-dicarbonitrile;3-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;4-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(13-phenyl-31-oxa-13,22-diazaoctacyclo[15.14.0.02,14.03,12.04,9.018,30.021,29.023,28]hentriaconta-1(17),2(14),3(12),4,6,8,10,15,18(30),19,21(29),23,25,27-tetradecaen-22-yl)benzene-1,2-dicarbonitrile is N#Cc1cc(-n2c3ccccc3c3c4oc5c(ccc6c5c5ccccc5n6-c5ccccc5)c4ccc32)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.N#Cc1ccc(-n2c3ccccc3c3c4oc5c(ccc6c5c5c7ccccc7ccc5n6-c5ccccc5)c4ccc32)cc1C#N.N#Cc1ccc(-n2c3ccccc3c3c4oc5c(ccc6c5c5ccccc5n6-c5ccccc5)c4ccc32)cc1C#N.N#Cc1cccc(-n2c3ccccc3c3c4oc5c(ccc6c5c5ccccc5n6-c5ccccc5)c4ccc32)c1C#N.[C-]#[N+]c1cc(C#N)cc(C#N)c1-n1c2ccccc2c2c3oc4c(ccc5c4c4ccccc4n5-c4ccccc4)c3ccc21.[C-]#[N+]c1ccc(C#N)cc1-n1c2ccccc2c2c3oc4c(ccc5c4c4ccccc4n5-c4ccccc4)c3ccc21.[C-]#[N+]c1cccc(C#N)c1-n1c2ccccc2c2c3oc4c(ccc5c4c4ccccc4n5-c4ccccc4)c3ccc21.

What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-isocyano-4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,3-dicarbonitrile;3-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;4-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(13-phenyl-31-oxa-13,22-diazaoctacyclo[15.14.0.02,14.03,12.04,9.018,30.021,29.023,28]hentriaconta-1(17),2(14),3(12),4,6,8,10,15,18(30),19,21(29),23,25,27-tetradecaen-22-yl)benzene-1,2-dicarbonitrile?

The InChIKey is RUDYGEIVJDUSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N6O.C42H22N4O.C39H19N5O.4C38H20N4O/c53-31-34-30-36(24-25-37(34)52-55-50(32-14-4-1-5-15-32)54-51(56-52)33-16-6-2-7-17-33)58-43-23-13-11-21-41(43)47-45(58)29-27-39-38-26-28-44-46(48(38)59-49(39)47)40-20-10-12-22-42(40)57(44)35-18-8-3-9-19-35;43-23-26-14-16-29(22-27(26)24-44)46-34-13-7-6-12-33(34)39-36(46)20-17-31-32-18-21-37-40(42(32)47-41(31)39)38-30-11-5-4-8-25(30)15-19-35(38)45(37)28-9-2-1-3-10-28;1-42-30-20-23(21-40)19-24(22-41)37(30)44-32-14-8-6-12-29(32)36-34(44)18-16-27-26-15-17-33-35(38(26)45-39(27)36)28-11-5-7-13-31(28)43(33)25-9-3-2-4-10-25;1-40-29-15-9-10-23(22-39)36(29)42-31-17-8-6-14-28(31)35-33(42)21-19-26-25-18-20-32-34(37(25)43-38(26)35)27-13-5-7-16-30(27)41(32)24-11-3-2-4-12-24;1-40-29-18-15-23(22-39)21-34(29)42-31-14-8-6-12-28(31)36-33(42)20-17-26-25-16-19-32-35(37(25)43-38(26)36)27-11-5-7-13-30(27)41(32)24-9-3-2-4-10-24;39-21-23-9-8-16-32(29(23)22-40)42-31-15-7-5-13-28(31)36-34(42)20-18-26-25-17-19-33-35(37(25)43-38(26)36)27-12-4-6-14-30(27)41(33)24-10-2-1-3-11-24;39-21-23-14-15-26(20-24(23)22-40)42-32-13-7-5-11-30(32)36-34(42)19-17-28-27-16-18-33-35(37(27)43-38(28)36)29-10-4-6-12-31(29)41(33)25-8-2-1-3-9-25/h1-30H;1-22H;2-20H;2*2-21H;2*1-20H.

What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-isocyano-4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,3-dicarbonitrile;3-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;4-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(13-phenyl-31-oxa-13,22-diazaoctacyclo[15.14.0.02,14.03,12.04,9.018,30.021,29.023,28]hentriaconta-1(17),2(14),3(12),4,6,8,10,15,18(30),19,21(29),23,25,27-tetradecaen-22-yl)benzene-1,2-dicarbonitrile?

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-isocyano-4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,3-dicarbonitrile;3-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;4-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(13-phenyl-31-oxa-13,22-diazaoctacyclo[15.14.0.02,14.03,12.04,9.018,30.021,29.023,28]hentriaconta-1(17),2(14),3(12),4,6,8,10,15,18(30),19,21(29),23,25,27-tetradecaen-22-yl)benzene-1,2-dicarbonitrile has a molecular weight of 4121.55 g/mol, XLogP of 73.04, 17 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-isocyano-4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,3-dicarbonitrile;3-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;4-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile;4-(13-phenyl-31-oxa-13,22-diazaoctacyclo[15.14.0.02,14.03,12.04,9.018,30.021,29.023,28]hentriaconta-1(17),2(14),3(12),4,6,8,10,15,18(30),19,21(29),23,25,27-tetradecaen-22-yl)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 160729651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).