4,6-diisocyano-12,13-dimethyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene;14,15-diisocyano-9,19-dimethyl-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,6-diisocyano-12,13-diphenyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;14,15-diisocyano-9-phenoxy-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;14,15-diisocyano-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,5,14,15-tetrafluoro-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene;9,10,19,20-tetramethyl-4,5,14,15-tetrakis(trifluoromethyl)-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene

C164H62F16N40O — CID 157081225

About 4,6-diisocyano-12,13-dimethyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene;14,15-diisocyano-9,19-dimethyl-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,6-diisocyano-12,13-diphenyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;14,15-diisocyano-9-phenoxy-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;14,15-diisocyano-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,5,14,15-tetrafluoro-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene;9,10,19,20-tetramethyl-4,5,14,15-tetrakis(trifluoromethyl)-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene

4,6-diisocyano-12,13-dimethyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene;14,15-diisocyano-9,19-dimethyl-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,6-diisocyano-12,13-diphenyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;14,15-diisocyano-9-phenoxy-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;14,15-diisocyano-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,5,14,15-tetrafluoro-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene;9,10,19,20-tetramethyl-4,5,14,15-tetrakis(trifluoromethyl)-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene (PubChem CID 157081225) has the molecular formula C164H62F16N40O and a molecular weight of 2912.55 g/mol. Its IUPAC name is 4,6-diisocyano-12,13-dimethyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene;14,15-diisocyano-9,19-dimethyl-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,6-diisocyano-12,13-diphenyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;14,15-diisocyano-9-phenoxy-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;14,15-diisocyano-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,5,14,15-tetrafluoro-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene;9,10,19,20-tetramethyl-4,5,14,15-tetrakis(trifluoromethyl)-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene.

Molecular Properties

• Compound Name: 4,6-diisocyano-12,13-dimethyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene;14,15-diisocyano-9,19-dimethyl-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,6-diisocyano-12,13-diphenyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;14,15-diisocyano-9-phenoxy-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;14,15-diisocyano-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,5,14,15-tetrafluoro-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene;9,10,19,20-tetramethyl-4,5,14,15-tetrakis(trifluoromethyl)-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene
• PubChem CID: 157081225
• Molecular Formula: C164H62F16N40O
• Molecular Weight: 2912.55 g/mol
• Exact Mass: 2910.58
• IUPAC Name: 4,6-diisocyano-12,13-dimethyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene;14,15-diisocyano-9,19-dimethyl-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,6-diisocyano-12,13-diphenyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;14,15-diisocyano-9-phenoxy-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;14,15-diisocyano-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,5,14,15-tetrafluoro-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene;9,10,19,20-tetramethyl-4,5,14,15-tetrakis(trifluoromethyl)-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene
• SMILES: Cc1c(C)c2c3c(c(C)c(C)c4c3c1-c1nc(C(F)(F)F)c(C(F)(F)F)nc1-4)-c1nc(C(F)(F)F)c(C(F)(F)F)nc1-2.Fc1nc2c(nc1F)-c1ccc3c4c(ccc-2c14)-c1nc(F)c(F)nc1-3.[C-]#[N+]C1=CC=C2c3nc(C)c(C)nc3C3C=CC([N+]#[C-])=C1C23.[C-]#[N+]c1ccc2c3c(ccc([N+]#[C-])c13)-c1nc(-c3ccccc3)c(-c3ccccc3)nc1-2.[C-]#[N+]c1nc2c(nc1[N+]#[C-])-c1c(C)cc3c4c(c(C)cc-2c14)-c1nc(C#N)c(C#N)nc1-3.[C-]#[N+]c1nc2c(nc1[N+]#[C-])-c1cc(Oc3ccccc3)c3c4c(ccc-2c14)-c1nc(C#N)c(C#N)nc1-3.[C-]#[N+]c1nc2c(nc1[N+]#[C-])-c1ccc3c4c(ccc-2c14)-c1nc(C#N)c(C#N)nc1-3
• InChI: InChI=1S/C28H8N8O.C28H14N4.C26H12F12N4.C24H8N8.C22H4N8.C18H4F4N4.C18H12N4/c1-31-27-28(32-2)36-25-16-10-19(37-13-6-4-3-5-7-13)22-21-15(9-8-14(20(16)21)23(25)35-27)24-26(22)34-18(12-30)17(11-29)33-24;1-29-21-15-13-19-23-20(14-16-22(30-2)24(21)23)28-27(19)31-25(17-9-5-3-6-10-17)26(32-28)18-11-7-4-8-12-18;1-5-6(2)10-14-12(18-16(10)40-21(25(33,34)35)22(42-18)26(36,37)38)8(4)7(3)11-13(14)9(5)15-17(11)41-20(24(30,31)32)19(39-15)23(27,28)29;1-9-6-12-18-16(22-20(12)31-23(27-3)24(28-4)32-22)10(2)5-11-17(18)15(9)21-19(11)29-13(7-25)14(8-26)30-21;1-25-21-22(26-2)30-20-12-6-4-10-15-9(3-5-11(16(12)15)19(20)29-21)17-18(10)28-14(8-24)13(7-23)27-17;19-15-16(20)25-13-7-3-4-8-10-6(2-1-5(9(7)10)11(13)23-15)12-14(8)26-18(22)17(21)24-12;1-9-10(2)22-18-12-6-8-14(20-4)16-13(19-3)7-5-11(15(12)16)17(18)21-9/h3-10H;3-16H;1-4H3;5-6H,1-2H3;3-6H;1-4H;5-8,11,15H,1-2H3
• InChIKey: ADOKZPUDQCUKHR-UHFFFAOYSA-N
• XLogP: 40.85
• TPSA: 504.93 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 4
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2912.55
LogP ≤ 5	40.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,6-diisocyano-12,13-dimethyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene;14,15-diisocyano-9,19-dimethyl-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,6-diisocyano-12,13-diphenyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;14,15-diisocyano-9-phenoxy-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;14,15-diisocyano-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,5,14,15-tetrafluoro-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene;9,10,19,20-tetramethyl-4,5,14,15-tetrakis(trifluoromethyl)-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene?

The IUPAC name of 4,6-diisocyano-12,13-dimethyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene;14,15-diisocyano-9,19-dimethyl-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,6-diisocyano-12,13-diphenyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;14,15-diisocyano-9-phenoxy-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;14,15-diisocyano-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,5,14,15-tetrafluoro-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene;9,10,19,20-tetramethyl-4,5,14,15-tetrakis(trifluoromethyl)-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene (CID 157081225) is 4,6-diisocyano-12,13-dimethyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene;14,15-diisocyano-9,19-dimethyl-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,6-diisocyano-12,13-diphenyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;14,15-diisocyano-9-phenoxy-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;14,15-diisocyano-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,5,14,15-tetrafluoro-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene;9,10,19,20-tetramethyl-4,5,14,15-tetrakis(trifluoromethyl)-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene.

What is the SMILES notation for 4,6-diisocyano-12,13-dimethyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene;14,15-diisocyano-9,19-dimethyl-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,6-diisocyano-12,13-diphenyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;14,15-diisocyano-9-phenoxy-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;14,15-diisocyano-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,5,14,15-tetrafluoro-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene;9,10,19,20-tetramethyl-4,5,14,15-tetrakis(trifluoromethyl)-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene?

The canonical SMILES for 4,6-diisocyano-12,13-dimethyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene;14,15-diisocyano-9,19-dimethyl-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,6-diisocyano-12,13-diphenyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;14,15-diisocyano-9-phenoxy-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;14,15-diisocyano-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,5,14,15-tetrafluoro-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene;9,10,19,20-tetramethyl-4,5,14,15-tetrakis(trifluoromethyl)-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene is Cc1c(C)c2c3c(c(C)c(C)c4c3c1-c1nc(C(F)(F)F)c(C(F)(F)F)nc1-4)-c1nc(C(F)(F)F)c(C(F)(F)F)nc1-2.Fc1nc2c(nc1F)-c1ccc3c4c(ccc-2c14)-c1nc(F)c(F)nc1-3.[C-]#[N+]C1=CC=C2c3nc(C)c(C)nc3C3C=CC([N+]#[C-])=C1C23.[C-]#[N+]c1ccc2c3c(ccc([N+]#[C-])c13)-c1nc(-c3ccccc3)c(-c3ccccc3)nc1-2.[C-]#[N+]c1nc2c(nc1[N+]#[C-])-c1c(C)cc3c4c(c(C)cc-2c14)-c1nc(C#N)c(C#N)nc1-3.[C-]#[N+]c1nc2c(nc1[N+]#[C-])-c1cc(Oc3ccccc3)c3c4c(ccc-2c14)-c1nc(C#N)c(C#N)nc1-3.[C-]#[N+]c1nc2c(nc1[N+]#[C-])-c1ccc3c4c(ccc-2c14)-c1nc(C#N)c(C#N)nc1-3.

What is the InChIKey of 4,6-diisocyano-12,13-dimethyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene;14,15-diisocyano-9,19-dimethyl-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,6-diisocyano-12,13-diphenyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;14,15-diisocyano-9-phenoxy-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;14,15-diisocyano-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,5,14,15-tetrafluoro-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene;9,10,19,20-tetramethyl-4,5,14,15-tetrakis(trifluoromethyl)-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene?

The InChIKey is ADOKZPUDQCUKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H8N8O.C28H14N4.C26H12F12N4.C24H8N8.C22H4N8.C18H4F4N4.C18H12N4/c1-31-27-28(32-2)36-25-16-10-19(37-13-6-4-3-5-7-13)22-21-15(9-8-14(20(16)21)23(25)35-27)24-26(22)34-18(12-30)17(11-29)33-24;1-29-21-15-13-19-23-20(14-16-22(30-2)24(21)23)28-27(19)31-25(17-9-5-3-6-10-17)26(32-28)18-11-7-4-8-12-18;1-5-6(2)10-14-12(18-16(10)40-21(25(33,34)35)22(42-18)26(36,37)38)8(4)7(3)11-13(14)9(5)15-17(11)41-20(24(30,31)32)19(39-15)23(27,28)29;1-9-6-12-18-16(22-20(12)31-23(27-3)24(28-4)32-22)10(2)5-11-17(18)15(9)21-19(11)29-13(7-25)14(8-26)30-21;1-25-21-22(26-2)30-20-12-6-4-10-15-9(3-5-11(16(12)15)19(20)29-21)17-18(10)28-14(8-24)13(7-23)27-17;19-15-16(20)25-13-7-3-4-8-10-6(2-1-5(9(7)10)11(13)23-15)12-14(8)26-18(22)17(21)24-12;1-9-10(2)22-18-12-6-8-14(20-4)16-13(19-3)7-5-11(15(12)16)17(18)21-9/h3-10H;3-16H;1-4H3;5-6H,1-2H3;3-6H;1-4H;5-8,11,15H,1-2H3.

What are the key properties of 4,6-diisocyano-12,13-dimethyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene;14,15-diisocyano-9,19-dimethyl-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,6-diisocyano-12,13-diphenyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;14,15-diisocyano-9-phenoxy-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;14,15-diisocyano-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,5,14,15-tetrafluoro-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene;9,10,19,20-tetramethyl-4,5,14,15-tetrakis(trifluoromethyl)-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene?

4,6-diisocyano-12,13-dimethyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene;14,15-diisocyano-9,19-dimethyl-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,6-diisocyano-12,13-diphenyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;14,15-diisocyano-9-phenoxy-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;14,15-diisocyano-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,5,14,15-tetrafluoro-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene;9,10,19,20-tetramethyl-4,5,14,15-tetrakis(trifluoromethyl)-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene has a molecular weight of 2912.55 g/mol, XLogP of 40.85, 4 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-diisocyano-12,13-dimethyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene;14,15-diisocyano-9,19-dimethyl-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,6-diisocyano-12,13-diphenyl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;14,15-diisocyano-9-phenoxy-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;14,15-diisocyano-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2,4,6,8,10,12(17),13,15,18(22),19-undecaene-4,5-dicarbonitrile;4,5,14,15-tetrafluoro-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene;9,10,19,20-tetramethyl-4,5,14,15-tetrakis(trifluoromethyl)-3,6,13,16-tetrazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1(21),2(7),3,5,8,10,12(17),13,15,18(22),19-undecaene is sourced from PubChem (CID 157081225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).