(2E)-2-[(4E)-4-[cyano(isocyano)methylidene]-7,8,10,11-tetrafluoro-3,13-dioxa-5,15-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,5,7,9,11,15-hexaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethylbenzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethyl-4,10-bis[2-methyl-4-(trifluoromethyl)phenyl]benzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[8-(diisocyanomethylidene)-4,5,6,10-tetrafluoro-[1]benzofuro[6,7-f][1]benzofuran-2-ylidene]-2-isocyanoacetonitrile

C94H32F14N26O4 — CID 157150550

IUPAC(2E)-2-[(4E)-4-[cyano(isocyano)methylidene]-7,8,10,11-tetrafluoro-3,13-dioxa-5,15-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,5,7,9,11,15-hexaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethylbenzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethyl-4,10-bis[2-methyl-4-(trifluoromethyl)phenyl]benzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[8-(diisocyanomethylidene)-4,5,6,10-tetrafluoro-[1]benzofuro[6,7-f][1]benzofuran-2-ylidene]-2-isocyanoacetonitrile
SMILES[C-]#[N+]/C(C#N)=c1\nc2c(o1)c(F)c(F)c1c(F)c(F)c3n/c(=C(/C#N)[N+]#[C-])oc3c12.[C-]#[N+]C([N+]#[C-])=c1cc2c(F)c3c(F)c(F)c4c/c(=C(\C#N)[N+]#[C-])oc4c3c(F)c2o1.[C-]#[N+]C([N+]#[C-])=c1nc2cc3cc(-c4ccc(C(F)(F)F)cc4C)c4n/c(=C(\C#N)[N+]#[C-])n(C)c4c3c(-c3ccc(C(F)(F)F)cc3C)c2n1C.[C-]#[N+]C([N+]#[C-])=c1nc2cc3ccc4n/c(=C(\C#N)[N+]#[C-])n(C)c4c3cc2n1C
InChIInChI=1S/C36H20F6N8.C20H2F4N4O2.C20H10N8.C18F4N6O2/c1-17-12-20(35(37,38)39)8-10-22(17)24-14-19-15-25-30(49(6)34(47-25)32(45-4)46-5)28(23-11-9-21(13-18(23)2)36(40,41)42)27(19)31-29(24)48-33(50(31)7)26(16-43)44-3;1-26-9(6-25)10-4-8-15(22)16(23)12-13(18(8)29-10)17(24)19-7(14(12)21)5-11(30-19)20(27-2)28-3;1-22-15(10-21)19-25-13-7-6-11-8-14-16(9-12(11)17(13)28(19)5)27(4)20(26-14)18(23-2)24-3;1-25-5(3-23)17-27-13-8-7(10(20)12(22)16(13)30-17)9(19)11(21)14-15(8)29-18(28-14)6(4-24)26-2/h8-15H,1-2,6-7H3;4-5H;6-9H,4-5H3;/b33-26-;10-9-;19-15-;17-5+,18-6+
InChIKeyALFBHORPSIZFDH-XTINLHFKSA-N
MW1855.44 g/mol
LogP17.25
Rot. Bonds2

About (2E)-2-[(4E)-4-[cyano(isocyano)methylidene]-7,8,10,11-tetrafluoro-3,13-dioxa-5,15-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,5,7,9,11,15-hexaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethylbenzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethyl-4,10-bis[2-methyl-4-(trifluoromethyl)phenyl]benzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[8-(diisocyanomethylidene)-4,5,6,10-tetrafluoro-[1]benzofuro[6,7-f][1]benzofuran-2-ylidene]-2-isocyanoacetonitrile

(2E)-2-[(4E)-4-[cyano(isocyano)methylidene]-7,8,10,11-tetrafluoro-3,13-dioxa-5,15-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,5,7,9,11,15-hexaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethylbenzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethyl-4,10-bis[2-methyl-4-(trifluoromethyl)phenyl]benzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[8-(diisocyanomethylidene)-4,5,6,10-tetrafluoro-[1]benzofuro[6,7-f][1]benzofuran-2-ylidene]-2-isocyanoacetonitrile (PubChem CID 157150550) has the molecular formula C94H32F14N26O4 and a molecular weight of 1855.44 g/mol. Its IUPAC name is (2E)-2-[(4E)-4-[cyano(isocyano)methylidene]-7,8,10,11-tetrafluoro-3,13-dioxa-5,15-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,5,7,9,11,15-hexaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethylbenzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethyl-4,10-bis[2-methyl-4-(trifluoromethyl)phenyl]benzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[8-(diisocyanomethylidene)-4,5,6,10-tetrafluoro-[1]benzofuro[6,7-f][1]benzofuran-2-ylidene]-2-isocyanoacetonitrile.

Molecular Properties

Compound Name(2E)-2-[(4E)-4-[cyano(isocyano)methylidene]-7,8,10,11-tetrafluoro-3,13-dioxa-5,15-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,5,7,9,11,15-hexaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethylbenzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethyl-4,10-bis[2-methyl-4-(trifluoromethyl)phenyl]benzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[8-(diisocyanomethylidene)-4,5,6,10-tetrafluoro-[1]benzofuro[6,7-f][1]benzofuran-2-ylidene]-2-isocyanoacetonitrile
PubChem CID157150550
Molecular FormulaC94H32F14N26O4
Molecular Weight1855.44 g/mol
Exact Mass1854.29
IUPAC Name(2E)-2-[(4E)-4-[cyano(isocyano)methylidene]-7,8,10,11-tetrafluoro-3,13-dioxa-5,15-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,5,7,9,11,15-hexaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethylbenzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethyl-4,10-bis[2-methyl-4-(trifluoromethyl)phenyl]benzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[8-(diisocyanomethylidene)-4,5,6,10-tetrafluoro-[1]benzofuro[6,7-f][1]benzofuran-2-ylidene]-2-isocyanoacetonitrile
SMILES[C-]#[N+]/C(C#N)=c1\nc2c(o1)c(F)c(F)c1c(F)c(F)c3n/c(=C(/C#N)[N+]#[C-])oc3c12.[C-]#[N+]C([N+]#[C-])=c1cc2c(F)c3c(F)c(F)c4c/c(=C(\C#N)[N+]#[C-])oc4c3c(F)c2o1.[C-]#[N+]C([N+]#[C-])=c1nc2cc3cc(-c4ccc(C(F)(F)F)cc4C)c4n/c(=C(\C#N)[N+]#[C-])n(C)c4c3c(-c3ccc(C(F)(F)F)cc3C)c2n1C.[C-]#[N+]C([N+]#[C-])=c1nc2cc3ccc4n/c(=C(\C#N)[N+]#[C-])n(C)c4c3cc2n1C
InChIInChI=1S/C36H20F6N8.C20H2F4N4O2.C20H10N8.C18F4N6O2/c1-17-12-20(35(37,38)39)8-10-22(17)24-14-19-15-25-30(49(6)34(47-25)32(45-4)46-5)28(23-11-9-21(13-18(23)2)36(40,41)42)27(19)31-29(24)48-33(50(31)7)26(16-43)44-3;1-26-9(6-25)10-4-8-15(22)16(23)12-13(18(8)29-10)17(24)19-7(14(12)21)5-11(30-19)20(27-2)28-3;1-22-15(10-21)19-25-13-7-6-11-8-14-16(9-12(11)17(13)28(19)5)27(4)20(26-14)18(23-2)24-3;1-25-5(3-23)17-27-13-8-7(10(20)12(22)16(13)30-17)9(19)11(21)14-15(8)29-18(28-14)6(4-24)26-2/h8-15H,1-2,6-7H3;4-5H;6-9H,4-5H3;/b33-26-;10-9-;19-15-;17-5+,18-6+
InChIKeyALFBHORPSIZFDH-XTINLHFKSA-N
XLogP17.25
TPSA316.53 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds2
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001855.44
LogP ≤ 517.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze (2E)-2-[(4E)-4-[cyano(isocyano)methylidene]-7,8,10,11-tetrafluoro-3,13-dioxa-5,15-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,5,7,9,11,15-hexaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethylbenzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethyl-4,10-bis[2-methyl-4-(trifluoromethyl)phenyl]benzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[8-(diisocyanomethylidene)-4,5,6,10-tetrafluoro-[1]benzofuro[6,7-f][1]benzofuran-2-ylidene]-2-isocyanoacetonitrile with MolForge

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Related Compounds

2-[(16E)-16-[cyano(isocyano)methylidene]-3,4,11,12,19,20-hexafluoro-8,15-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1,3,5,9,11,13,17,19-octaen-7-ylidene]propanedinitrile
CID 157124196
2-[4,8-bis[2,4-bis(trifluoromethyl)phenyl]-2-(dicyanomethylidene)-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-ylidene]propanedinitrile
CID 146416557
(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-8,22-difluoro-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),2,4,6(11),7,9,13,15,18,20(25),21,23,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(26Z)-26-[cyano(isocyano)methylidene]-8,23-difluoro-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6(11),7,9,13,16,18,20(25),21,23,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-9-(4-methylphenyl)-23-[4-(trifluoromethyl)phenyl]-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),2,4,6(11),7,9,13,15,18,21(26),22,24,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(26Z)-26-[cyano(isocyano)methylidene]-9-(4-methylphenyl)-23-[4-(trifluoromethyl)phenyl]-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),2,4,6(11),7,9,13,15,18,20(25),21,23,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-2,9,16,23-tetrafluoro-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1,3(15),4,6(11),7,9,13,16,18,21(26),22,24,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;[(26E)-26-isocyanoimino-23-(4-methylphenyl)-9-[4-(trifluoromethyl)phenyl]-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6(11),7,9,13,16,18,20(25),21,23,27-tridecaen-12-ylidene]cyanamide
CID 172971870
[8-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide
CID 87097555
2-[2-(dicyanomethylidene)-4,8-bis[3,5-difluoro-2-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-ylidene]propanedinitrile
CID 170246196
5-methyl-3-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-2H-1,3,4-oxadiazole
CID 138692158
1-[2-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502056
(2E)-2-[(26Z)-26-[cyano(isocyano)methylidene]-9,23-bis[4-(trifluoromethyl)phenyl]-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),2,4,6(11),7,9,13,15,18,20(25),21,23,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile
CID 58013021
(2E)-2-[(25Z)-25-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-15-oxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile
CID 58518195
2,4-dimethyl-7-(trifluoromethyl)pyrido[1,2-a]benzimidazole
CID 142765912
(2Z)-2-[(4E)-4-[cyano(isocyano)methylidene]-2,5-bis[3-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile
CID 159206935
2-[2-(dicyanomethylidene)-4,8-bis[2-[2-(trifluoromethyl)phenyl]phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-ylidene]propanedinitrile
CID 169072395

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4E)-4-[cyano(isocyano)methylidene]-7,8,10,11-tetrafluoro-3,13-dioxa-5,15-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,5,7,9,11,15-hexaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethylbenzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethyl-4,10-bis[2-methyl-4-(trifluoromethyl)phenyl]benzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[8-(diisocyanomethylidene)-4,5,6,10-tetrafluoro-[1]benzofuro[6,7-f][1]benzofuran-2-ylidene]-2-isocyanoacetonitrile?
The IUPAC name of (2E)-2-[(4E)-4-[cyano(isocyano)methylidene]-7,8,10,11-tetrafluoro-3,13-dioxa-5,15-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,5,7,9,11,15-hexaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethylbenzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethyl-4,10-bis[2-methyl-4-(trifluoromethyl)phenyl]benzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[8-(diisocyanomethylidene)-4,5,6,10-tetrafluoro-[1]benzofuro[6,7-f][1]benzofuran-2-ylidene]-2-isocyanoacetonitrile (CID 157150550) is (2E)-2-[(4E)-4-[cyano(isocyano)methylidene]-7,8,10,11-tetrafluoro-3,13-dioxa-5,15-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,5,7,9,11,15-hexaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethylbenzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethyl-4,10-bis[2-methyl-4-(trifluoromethyl)phenyl]benzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[8-(diisocyanomethylidene)-4,5,6,10-tetrafluoro-[1]benzofuro[6,7-f][1]benzofuran-2-ylidene]-2-isocyanoacetonitrile.
What is the SMILES notation for (2E)-2-[(4E)-4-[cyano(isocyano)methylidene]-7,8,10,11-tetrafluoro-3,13-dioxa-5,15-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,5,7,9,11,15-hexaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethylbenzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethyl-4,10-bis[2-methyl-4-(trifluoromethyl)phenyl]benzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[8-(diisocyanomethylidene)-4,5,6,10-tetrafluoro-[1]benzofuro[6,7-f][1]benzofuran-2-ylidene]-2-isocyanoacetonitrile?
The canonical SMILES for (2E)-2-[(4E)-4-[cyano(isocyano)methylidene]-7,8,10,11-tetrafluoro-3,13-dioxa-5,15-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,5,7,9,11,15-hexaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethylbenzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethyl-4,10-bis[2-methyl-4-(trifluoromethyl)phenyl]benzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[8-(diisocyanomethylidene)-4,5,6,10-tetrafluoro-[1]benzofuro[6,7-f][1]benzofuran-2-ylidene]-2-isocyanoacetonitrile is [C-]#[N+]/C(C#N)=c1\nc2c(o1)c(F)c(F)c1c(F)c(F)c3n/c(=C(/C#N)[N+]#[C-])oc3c12.[C-]#[N+]C([N+]#[C-])=c1cc2c(F)c3c(F)c(F)c4c/c(=C(\C#N)[N+]#[C-])oc4c3c(F)c2o1.[C-]#[N+]C([N+]#[C-])=c1nc2cc3cc(-c4ccc(C(F)(F)F)cc4C)c4n/c(=C(\C#N)[N+]#[C-])n(C)c4c3c(-c3ccc(C(F)(F)F)cc3C)c2n1C.[C-]#[N+]C([N+]#[C-])=c1nc2cc3ccc4n/c(=C(\C#N)[N+]#[C-])n(C)c4c3cc2n1C.
What is the InChIKey of (2E)-2-[(4E)-4-[cyano(isocyano)methylidene]-7,8,10,11-tetrafluoro-3,13-dioxa-5,15-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,5,7,9,11,15-hexaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethylbenzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethyl-4,10-bis[2-methyl-4-(trifluoromethyl)phenyl]benzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[8-(diisocyanomethylidene)-4,5,6,10-tetrafluoro-[1]benzofuro[6,7-f][1]benzofuran-2-ylidene]-2-isocyanoacetonitrile?
The InChIKey is ALFBHORPSIZFDH-XTINLHFKSA-N. The full InChI is InChI=1S/C36H20F6N8.C20H2F4N4O2.C20H10N8.C18F4N6O2/c1-17-12-20(35(37,38)39)8-10-22(17)24-14-19-15-25-30(49(6)34(47-25)32(45-4)46-5)28(23-11-9-21(13-18(23)2)36(40,41)42)27(19)31-29(24)48-33(50(31)7)26(16-43)44-3;1-26-9(6-25)10-4-8-15(22)16(23)12-13(18(8)29-10)17(24)19-7(14(12)21)5-11(30-19)20(27-2)28-3;1-22-15(10-21)19-25-13-7-6-11-8-14-16(9-12(11)17(13)28(19)5)27(4)20(26-14)18(23-2)24-3;1-25-5(3-23)17-27-13-8-7(10(20)12(22)16(13)30-17)9(19)11(21)14-15(8)29-18(28-14)6(4-24)26-2/h8-15H,1-2,6-7H3;4-5H;6-9H,4-5H3;/b33-26-;10-9-;19-15-;17-5+,18-6+.
What are the key properties of (2E)-2-[(4E)-4-[cyano(isocyano)methylidene]-7,8,10,11-tetrafluoro-3,13-dioxa-5,15-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,5,7,9,11,15-hexaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethylbenzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethyl-4,10-bis[2-methyl-4-(trifluoromethyl)phenyl]benzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[8-(diisocyanomethylidene)-4,5,6,10-tetrafluoro-[1]benzofuro[6,7-f][1]benzofuran-2-ylidene]-2-isocyanoacetonitrile?
(2E)-2-[(4E)-4-[cyano(isocyano)methylidene]-7,8,10,11-tetrafluoro-3,13-dioxa-5,15-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,5,7,9,11,15-hexaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethylbenzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethyl-4,10-bis[2-methyl-4-(trifluoromethyl)phenyl]benzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[8-(diisocyanomethylidene)-4,5,6,10-tetrafluoro-[1]benzofuro[6,7-f][1]benzofuran-2-ylidene]-2-isocyanoacetonitrile has a molecular weight of 1855.44 g/mol, XLogP of 17.25, 2 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4E)-4-[cyano(isocyano)methylidene]-7,8,10,11-tetrafluoro-3,13-dioxa-5,15-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,5,7,9,11,15-hexaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethylbenzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[8-(diisocyanomethylidene)-1,9-dimethyl-4,10-bis[2-methyl-4-(trifluoromethyl)phenyl]benzimidazolo[5,6-e]benzimidazol-2-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[8-(diisocyanomethylidene)-4,5,6,10-tetrafluoro-[1]benzofuro[6,7-f][1]benzofuran-2-ylidene]-2-isocyanoacetonitrile is sourced from PubChem (CID 157150550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).