10,11-diisocyano-16-methyl-17-(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;4,5-dimethoxy-10,11-dimethyl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,5-dimethyl-10,11-diphenoxy-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;17-isocyano-4,5-dimethyl-10,11-bis(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-17-isocyano-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaene

C116H55F17N32O4 — CID 157107357

About 10,11-diisocyano-16-methyl-17-(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;4,5-dimethoxy-10,11-dimethyl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,5-dimethyl-10,11-diphenoxy-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;17-isocyano-4,5-dimethyl-10,11-bis(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-17-isocyano-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaene

10,11-diisocyano-16-methyl-17-(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;4,5-dimethoxy-10,11-dimethyl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,5-dimethyl-10,11-diphenoxy-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;17-isocyano-4,5-dimethyl-10,11-bis(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-17-isocyano-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaene (PubChem CID 157107357) has the molecular formula C116H55F17N32O4 and a molecular weight of 2283.90 g/mol. Its IUPAC name is 10,11-diisocyano-16-methyl-17-(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;4,5-dimethoxy-10,11-dimethyl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,5-dimethyl-10,11-diphenoxy-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;17-isocyano-4,5-dimethyl-10,11-bis(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-17-isocyano-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaene.

Molecular Properties

• Compound Name: 10,11-diisocyano-16-methyl-17-(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;4,5-dimethoxy-10,11-dimethyl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,5-dimethyl-10,11-diphenoxy-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;17-isocyano-4,5-dimethyl-10,11-bis(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-17-isocyano-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaene
• PubChem CID: 157107357
• Molecular Formula: C116H55F17N32O4
• Molecular Weight: 2283.90 g/mol
• Exact Mass: 2282.48
• IUPAC Name: 10,11-diisocyano-16-methyl-17-(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;4,5-dimethoxy-10,11-dimethyl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,5-dimethyl-10,11-diphenoxy-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;17-isocyano-4,5-dimethyl-10,11-bis(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-17-isocyano-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaene
• SMILES: COc1nc2c3ccccc3c3nc(C)c(C)nc3c2nc1OC.Cc1nc2c3ccccc3c3nc(Oc4ccccc4)c(Oc4ccccc4)nc3c2nc1C.Fc1nc2c3ccccc3c3nc(F)c(F)nc3c2nc1F.[C-]#[N+]c1cc2c(cc1C#N)c1nc(C(F)(F)F)c(C(F)(F)F)nc1c1nc(C)c(C)nc21.[C-]#[N+]c1cc2c(cc1C#N)c1nc(F)c(F)nc1c1nc(F)c(F)nc21.[C-]#[N+]c1nc2c3cc(C)c(C(F)(F)F)cc3c3nc(C#N)c(C#N)nc3c2nc1[N+]#[C-]
• InChI: InChI=1S/C28H20N4O2.C20H8F6N6.C20H5F3N8.C18H16N4O2.C16H2F4N6.C14H4F4N4/c1-17-18(2)30-25-23(29-17)21-15-9-10-16-22(21)24-26(25)32-28(34-20-13-7-4-8-14-20)27(31-24)33-19-11-5-3-6-12-19;1-7-8(2)30-15-13(29-7)11-5-12(28-3)9(6-27)4-10(11)14-16(15)32-18(20(24,25)26)17(31-14)19(21,22)23;1-8-4-9-10(5-11(8)20(21,22)23)14-16(29-13(7-25)12(6-24)28-14)17-15(9)30-18(26-2)19(27-3)31-17;1-9-10(2)20-15-13(19-9)11-7-5-6-8-12(11)14-16(15)22-18(24-4)17(21-14)23-3;1-22-8-3-7-6(2-5(8)4-21)9-11(25-15(19)13(17)23-9)12-10(7)24-14(18)16(20)26-12;15-11-13(17)21-9-7(19-11)5-3-1-2-4-6(5)8-10(9)22-14(18)12(16)20-8/h3-16H,1-2H3;4-5H,1-2H3;4-5H,1H3;5-8H,1-4H3;2-3H;1-4H
• InChIKey: AGLJVJWVJXOACL-UHFFFAOYSA-N
• XLogP: 27.98
• TPSA: 458.88 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 6
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2283.90
LogP ≤ 5	27.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10,11-diisocyano-16-methyl-17-(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;4,5-dimethoxy-10,11-dimethyl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,5-dimethyl-10,11-diphenoxy-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;17-isocyano-4,5-dimethyl-10,11-bis(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-17-isocyano-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaene?

The IUPAC name of 10,11-diisocyano-16-methyl-17-(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;4,5-dimethoxy-10,11-dimethyl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,5-dimethyl-10,11-diphenoxy-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;17-isocyano-4,5-dimethyl-10,11-bis(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-17-isocyano-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaene (CID 157107357) is 10,11-diisocyano-16-methyl-17-(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;4,5-dimethoxy-10,11-dimethyl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,5-dimethyl-10,11-diphenoxy-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;17-isocyano-4,5-dimethyl-10,11-bis(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-17-isocyano-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaene.

What is the SMILES notation for 10,11-diisocyano-16-methyl-17-(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;4,5-dimethoxy-10,11-dimethyl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,5-dimethyl-10,11-diphenoxy-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;17-isocyano-4,5-dimethyl-10,11-bis(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-17-isocyano-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaene?

The canonical SMILES for 10,11-diisocyano-16-methyl-17-(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;4,5-dimethoxy-10,11-dimethyl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,5-dimethyl-10,11-diphenoxy-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;17-isocyano-4,5-dimethyl-10,11-bis(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-17-isocyano-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaene is COc1nc2c3ccccc3c3nc(C)c(C)nc3c2nc1OC.Cc1nc2c3ccccc3c3nc(Oc4ccccc4)c(Oc4ccccc4)nc3c2nc1C.Fc1nc2c3ccccc3c3nc(F)c(F)nc3c2nc1F.[C-]#[N+]c1cc2c(cc1C#N)c1nc(C(F)(F)F)c(C(F)(F)F)nc1c1nc(C)c(C)nc21.[C-]#[N+]c1cc2c(cc1C#N)c1nc(F)c(F)nc1c1nc(F)c(F)nc21.[C-]#[N+]c1nc2c3cc(C)c(C(F)(F)F)cc3c3nc(C#N)c(C#N)nc3c2nc1[N+]#[C-].

What is the InChIKey of 10,11-diisocyano-16-methyl-17-(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;4,5-dimethoxy-10,11-dimethyl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,5-dimethyl-10,11-diphenoxy-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;17-isocyano-4,5-dimethyl-10,11-bis(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-17-isocyano-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaene?

The InChIKey is AGLJVJWVJXOACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4O2.C20H8F6N6.C20H5F3N8.C18H16N4O2.C16H2F4N6.C14H4F4N4/c1-17-18(2)30-25-23(29-17)21-15-9-10-16-22(21)24-26(25)32-28(34-20-13-7-4-8-14-20)27(31-24)33-19-11-5-3-6-12-19;1-7-8(2)30-15-13(29-7)11-5-12(28-3)9(6-27)4-10(11)14-16(15)32-18(20(24,25)26)17(31-14)19(21,22)23;1-8-4-9-10(5-11(8)20(21,22)23)14-16(29-13(7-25)12(6-24)28-14)17-15(9)30-18(26-2)19(27-3)31-17;1-9-10(2)20-15-13(19-9)11-7-5-6-8-12(11)14-16(15)22-18(24-4)17(21-14)23-3;1-22-8-3-7-6(2-5(8)4-21)9-11(25-15(19)13(17)23-9)12-10(7)24-14(18)16(20)26-12;15-11-13(17)21-9-7(19-11)5-3-1-2-4-6(5)8-10(9)22-14(18)12(16)20-8/h3-16H,1-2H3;4-5H,1-2H3;4-5H,1H3;5-8H,1-4H3;2-3H;1-4H.

What are the key properties of 10,11-diisocyano-16-methyl-17-(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;4,5-dimethoxy-10,11-dimethyl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,5-dimethyl-10,11-diphenoxy-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;17-isocyano-4,5-dimethyl-10,11-bis(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-17-isocyano-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaene?

10,11-diisocyano-16-methyl-17-(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;4,5-dimethoxy-10,11-dimethyl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,5-dimethyl-10,11-diphenoxy-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;17-isocyano-4,5-dimethyl-10,11-bis(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-17-isocyano-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaene has a molecular weight of 2283.90 g/mol, XLogP of 27.98, 6 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 10,11-diisocyano-16-methyl-17-(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;4,5-dimethoxy-10,11-dimethyl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,5-dimethyl-10,11-diphenoxy-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;17-isocyano-4,5-dimethyl-10,11-bis(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-17-isocyano-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene-16-carbonitrile;4,5,10,11-tetrafluoro-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaene is sourced from PubChem (CID 157107357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).