10,11-diisocyano-16,17-bis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;5-isocyano-10,11,16,17-tetrakis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;10,11,16,17-tetrafluoro-5-isocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene;4,5,10,11-tetraphenoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene

C126H52F22N38O8 — CID 157159506

IUPAC10,11-diisocyano-16,17-bis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;5-isocyano-10,11,16,17-tetrakis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;10,11,16,17-tetrafluoro-5-isocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene;4,5,10,11-tetraphenoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene
SMILESCOc1nc2c3nc(OC)c(OC)nc3c3nc(-c4ccccc4)c(-c4ccccc4)nc3c2nc1OC.[C-]#[N+]c1nc2c(nc1C#N)c1nc(C(F)(F)F)c(C(F)(F)F)nc1c1nc(C(F)(F)F)c(C(F)(F)F)nc21.[C-]#[N+]c1nc2c3nc(C#N)c(C#N)nc3c3nc(C(F)(F)F)c(C(F)(F)F)nc3c2nc1[N+]#[C-].[C-]#[N+]c1nc2c3nc(F)c(F)nc3c3nc(F)c(F)nc3c2nc1C#N.c1ccc(Oc2nc3c4nc(Oc5ccccc5)c(Oc5ccccc5)nc4c4nc(-c5ccccc5)c(-c5ccccc5)nc4c3nc2Oc2ccccc2)cc1
InChIInChI=1S/C48H30N6O4.C28H22N6O4.C18F12N8.C18F6N10.C14F4N8/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)50-40-39(49-37)41-43(53-47(57-35-27-15-5-16-28-35)45(51-41)55-33-23-11-3-12-24-33)44-42(40)52-46(56-34-25-13-4-14-26-34)48(54-44)58-36-29-17-6-18-30-36;1-35-25-27(37-3)33-23-21(31-25)19-20(22-24(23)34-28(38-4)26(32-22)36-2)30-18(16-13-9-6-10-14-16)17(29-19)15-11-7-5-8-12-15;1-32-14-3(2-31)33-4-5-6(35-11(16(22,23)24)10(34-5)15(19,20)21)7-8(9(4)38-14)37-13(18(28,29)30)12(36-7)17(25,26)27;1-27-15-16(28-2)34-12-10-9(31-13(17(19,20)21)14(32-10)18(22,23)24)7-8(11(12)33-15)30-6(4-26)5(3-25)29-7;1-20-14-3(2-19)21-4-5-6(23-11(16)10(15)22-5)7-8(9(4)26-14)25-13(18)12(17)24-7/h1-30H;5-14H,1-4H3;;;
InChIKeyAMEXDHWAUQBMER-UHFFFAOYSA-N
MW2644.02 g/mol
LogP29.81
Rot. Bonds16

About 10,11-diisocyano-16,17-bis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;5-isocyano-10,11,16,17-tetrakis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;10,11,16,17-tetrafluoro-5-isocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene;4,5,10,11-tetraphenoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene

10,11-diisocyano-16,17-bis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;5-isocyano-10,11,16,17-tetrakis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;10,11,16,17-tetrafluoro-5-isocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene;4,5,10,11-tetraphenoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene (PubChem CID 157159506) has the molecular formula C126H52F22N38O8 and a molecular weight of 2644.02 g/mol. Its IUPAC name is 10,11-diisocyano-16,17-bis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;5-isocyano-10,11,16,17-tetrakis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;10,11,16,17-tetrafluoro-5-isocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene;4,5,10,11-tetraphenoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene.

Molecular Properties

Compound Name10,11-diisocyano-16,17-bis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;5-isocyano-10,11,16,17-tetrakis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;10,11,16,17-tetrafluoro-5-isocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene;4,5,10,11-tetraphenoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene
PubChem CID157159506
Molecular FormulaC126H52F22N38O8
Molecular Weight2644.02 g/mol
Exact Mass2642.45
IUPAC Name10,11-diisocyano-16,17-bis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;5-isocyano-10,11,16,17-tetrakis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;10,11,16,17-tetrafluoro-5-isocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene;4,5,10,11-tetraphenoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene
SMILESCOc1nc2c3nc(OC)c(OC)nc3c3nc(-c4ccccc4)c(-c4ccccc4)nc3c2nc1OC.[C-]#[N+]c1nc2c(nc1C#N)c1nc(C(F)(F)F)c(C(F)(F)F)nc1c1nc(C(F)(F)F)c(C(F)(F)F)nc21.[C-]#[N+]c1nc2c3nc(C#N)c(C#N)nc3c3nc(C(F)(F)F)c(C(F)(F)F)nc3c2nc1[N+]#[C-].[C-]#[N+]c1nc2c3nc(F)c(F)nc3c3nc(F)c(F)nc3c2nc1C#N.c1ccc(Oc2nc3c4nc(Oc5ccccc5)c(Oc5ccccc5)nc4c4nc(-c5ccccc5)c(-c5ccccc5)nc4c3nc2Oc2ccccc2)cc1
InChIInChI=1S/C48H30N6O4.C28H22N6O4.C18F12N8.C18F6N10.C14F4N8/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)50-40-39(49-37)41-43(53-47(57-35-27-15-5-16-28-35)45(51-41)55-33-23-11-3-12-24-33)44-42(40)52-46(56-34-25-13-4-14-26-34)48(54-44)58-36-29-17-6-18-30-36;1-35-25-27(37-3)33-23-21(31-25)19-20(22-24(23)34-28(38-4)26(32-22)36-2)30-18(16-13-9-6-10-14-16)17(29-19)15-11-7-5-8-12-15;1-32-14-3(2-31)33-4-5-6(35-11(16(22,23)24)10(34-5)15(19,20)21)7-8(9(4)38-14)37-13(18(28,29)30)12(36-7)17(25,26)27;1-27-15-16(28-2)34-12-10-9(31-13(17(19,20)21)14(32-10)18(22,23)24)7-8(11(12)33-15)30-6(4-26)5(3-25)29-7;1-20-14-3(2-19)21-4-5-6(23-11(16)10(15)22-5)7-8(9(4)26-14)25-13(18)12(17)24-7/h1-30H;5-14H,1-4H3;;;
InChIKeyAMEXDHWAUQBMER-UHFFFAOYSA-N
XLogP29.81
TPSA573.14 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds16
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002644.02
LogP ≤ 529.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 10,11-diisocyano-16,17-bis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;5-isocyano-10,11,16,17-tetrakis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;10,11,16,17-tetrafluoro-5-isocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene;4,5,10,11-tetraphenoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,11-diisocyano-16,17-bis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;5-isocyano-10,11,16,17-tetrakis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;10,11,16,17-tetrafluoro-5-isocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene;4,5,10,11-tetraphenoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene?
The IUPAC name of 10,11-diisocyano-16,17-bis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;5-isocyano-10,11,16,17-tetrakis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;10,11,16,17-tetrafluoro-5-isocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene;4,5,10,11-tetraphenoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene (CID 157159506) is 10,11-diisocyano-16,17-bis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;5-isocyano-10,11,16,17-tetrakis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;10,11,16,17-tetrafluoro-5-isocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene;4,5,10,11-tetraphenoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene.
What is the SMILES notation for 10,11-diisocyano-16,17-bis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;5-isocyano-10,11,16,17-tetrakis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;10,11,16,17-tetrafluoro-5-isocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene;4,5,10,11-tetraphenoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene?
The canonical SMILES for 10,11-diisocyano-16,17-bis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;5-isocyano-10,11,16,17-tetrakis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;10,11,16,17-tetrafluoro-5-isocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene;4,5,10,11-tetraphenoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene is COc1nc2c3nc(OC)c(OC)nc3c3nc(-c4ccccc4)c(-c4ccccc4)nc3c2nc1OC.[C-]#[N+]c1nc2c(nc1C#N)c1nc(C(F)(F)F)c(C(F)(F)F)nc1c1nc(C(F)(F)F)c(C(F)(F)F)nc21.[C-]#[N+]c1nc2c3nc(C#N)c(C#N)nc3c3nc(C(F)(F)F)c(C(F)(F)F)nc3c2nc1[N+]#[C-].[C-]#[N+]c1nc2c3nc(F)c(F)nc3c3nc(F)c(F)nc3c2nc1C#N.c1ccc(Oc2nc3c4nc(Oc5ccccc5)c(Oc5ccccc5)nc4c4nc(-c5ccccc5)c(-c5ccccc5)nc4c3nc2Oc2ccccc2)cc1.
What is the InChIKey of 10,11-diisocyano-16,17-bis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;5-isocyano-10,11,16,17-tetrakis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;10,11,16,17-tetrafluoro-5-isocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene;4,5,10,11-tetraphenoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene?
The InChIKey is AMEXDHWAUQBMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N6O4.C28H22N6O4.C18F12N8.C18F6N10.C14F4N8/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)50-40-39(49-37)41-43(53-47(57-35-27-15-5-16-28-35)45(51-41)55-33-23-11-3-12-24-33)44-42(40)52-46(56-34-25-13-4-14-26-34)48(54-44)58-36-29-17-6-18-30-36;1-35-25-27(37-3)33-23-21(31-25)19-20(22-24(23)34-28(38-4)26(32-22)36-2)30-18(16-13-9-6-10-14-16)17(29-19)15-11-7-5-8-12-15;1-32-14-3(2-31)33-4-5-6(35-11(16(22,23)24)10(34-5)15(19,20)21)7-8(9(4)38-14)37-13(18(28,29)30)12(36-7)17(25,26)27;1-27-15-16(28-2)34-12-10-9(31-13(17(19,20)21)14(32-10)18(22,23)24)7-8(11(12)33-15)30-6(4-26)5(3-25)29-7;1-20-14-3(2-19)21-4-5-6(23-11(16)10(15)22-5)7-8(9(4)26-14)25-13(18)12(17)24-7/h1-30H;5-14H,1-4H3;;;.
What are the key properties of 10,11-diisocyano-16,17-bis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;5-isocyano-10,11,16,17-tetrakis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;10,11,16,17-tetrafluoro-5-isocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene;4,5,10,11-tetraphenoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene?
10,11-diisocyano-16,17-bis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;5-isocyano-10,11,16,17-tetrakis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;10,11,16,17-tetrafluoro-5-isocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene;4,5,10,11-tetraphenoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene has a molecular weight of 2644.02 g/mol, XLogP of 29.81, 16 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11-diisocyano-16,17-bis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4,5-dicarbonitrile;5-isocyano-10,11,16,17-tetrakis(trifluoromethyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;10,11,16,17-tetrafluoro-5-isocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene;4,5,10,11-tetraphenoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene is sourced from PubChem (CID 157159506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).