5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-6-isocyanoimino-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide

C264H106F38N34O8 — CID 172927881

IUPAC5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-6-isocyanoimino-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide
SMILES[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(C(F)(F)F)nc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(C(F)(F)F)nc2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(F)c(C#N)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(F)c([N+]#[C-])c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3cccc(OC(F)(F)F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2cccc(OC(F)(F)F)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/N=c1\c2cc(-c3ccc(C(F)(F)F)nc3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(C(F)(F)F)nc5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(OC(F)(F)F)cc5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3cccc(OC(F)(F)F)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5cccc(OC(F)(F)F)c5)ccc4c3cc12
InChIInChI=1S/2C40H16F6N4O2.C40H14F2N6.C38H14F6N6.2C36H16F6N4O2.C34H14F6N6/c1-49-35(19-47)37-31-15-23(21-3-9-25(10-4-21)51-39(41,42)43)7-13-27(31)29-18-34-30(17-33(29)37)28-14-8-24(16-32(28)38(34)36(20-48)50-2)22-5-11-26(12-6-22)52-40(44,45)46;1-49-35(19-47)37-31-15-23(21-5-3-7-25(13-21)51-39(41,42)43)9-11-27(31)29-18-34-30(17-33(29)37)28-12-10-24(16-32(28)38(34)36(20-48)50-2)22-6-4-8-26(14-22)52-40(44,45)46;1-46-36-15-24(7-11-35(36)42)23-5-9-27-29-17-32-28(16-33(29)40(31(27)14-23)38(20-45)48-3)26-8-4-22(13-30(26)39(32)37(19-44)47-2)21-6-10-34(41)25(12-21)18-43;1-47-31(15-45)35-27-11-19(21-5-9-33(49-17-21)37(39,40)41)3-7-23(27)25-14-30-26(13-29(25)35)24-8-4-20(12-28(24)36(30)32(16-46)48-2)22-6-10-34(50-18-22)38(42,43)44;1-44-46-34-30-15-22(20-4-10-24(11-5-20)48-36(40,41)42)7-13-26(30)28-16-31-27(17-32(28)34)25-12-6-21(14-29(25)33(31)45-18-43)19-2-8-23(9-3-19)47-35(37,38)39;1-44-46-34-30-15-22(20-5-3-7-24(13-20)48-36(40,41)42)9-11-26(30)28-16-31-27(17-32(28)34)25-10-8-21(14-29(25)33(31)45-18-43)19-4-2-6-23(12-19)47-35(37,38)39;1-42-46-32-26-11-18(20-5-9-30(44-15-20)34(38,39)40)3-7-22(26)24-12-27-23(13-28(24)32)21-6-2-17(10-25(21)31(27)45-16-41)19-4-8-29(43-14-19)33(35,36)37/h2*3-18H;4-17H;3-14,17-18H;2*2-17H;2-15H/b2*37-35-,38-36+;39-37-,40-38+;35-31-,36-32+;2*45-33+,46-34+;45-31+,46-32+
InChIKeyHBCDLPAPSSCBJX-BEHYWQHCSA-N
MW4603.91 g/mol
LogP69.97
Rot. Bonds22

About 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-6-isocyanoimino-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide

5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-6-isocyanoimino-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide (PubChem CID 172927881) has the molecular formula C264H106F38N34O8 and a molecular weight of 4603.91 g/mol. Its IUPAC name is 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-6-isocyanoimino-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide.

Molecular Properties

Compound Name5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-6-isocyanoimino-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide
PubChem CID172927881
Molecular FormulaC264H106F38N34O8
Molecular Weight4603.91 g/mol
Exact Mass4600.83
IUPAC Name5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-6-isocyanoimino-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide
SMILES[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(C(F)(F)F)nc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(C(F)(F)F)nc2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(F)c(C#N)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(F)c([N+]#[C-])c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3cccc(OC(F)(F)F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2cccc(OC(F)(F)F)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/N=c1\c2cc(-c3ccc(C(F)(F)F)nc3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(C(F)(F)F)nc5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(OC(F)(F)F)cc5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3cccc(OC(F)(F)F)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5cccc(OC(F)(F)F)c5)ccc4c3cc12
InChIInChI=1S/2C40H16F6N4O2.C40H14F2N6.C38H14F6N6.2C36H16F6N4O2.C34H14F6N6/c1-49-35(19-47)37-31-15-23(21-3-9-25(10-4-21)51-39(41,42)43)7-13-27(31)29-18-34-30(17-33(29)37)28-14-8-24(16-32(28)38(34)36(20-48)50-2)22-5-11-26(12-6-22)52-40(44,45)46;1-49-35(19-47)37-31-15-23(21-5-3-7-25(13-21)51-39(41,42)43)9-11-27(31)29-18-34-30(17-33(29)37)28-12-10-24(16-32(28)38(34)36(20-48)50-2)22-6-4-8-26(14-22)52-40(44,45)46;1-46-36-15-24(7-11-35(36)42)23-5-9-27-29-17-32-28(16-33(29)40(31(27)14-23)38(20-45)48-3)26-8-4-22(13-30(26)39(32)37(19-44)47-2)21-6-10-34(41)25(12-21)18-43;1-47-31(15-45)35-27-11-19(21-5-9-33(49-17-21)37(39,40)41)3-7-23(27)25-14-30-26(13-29(25)35)24-8-4-20(12-28(24)36(30)32(16-46)48-2)22-6-10-34(50-18-22)38(42,43)44;1-44-46-34-30-15-22(20-4-10-24(11-5-20)48-36(40,41)42)7-13-26(30)28-16-31-27(17-32(28)34)25-12-6-21(14-29(25)33(31)45-18-43)19-2-8-23(9-3-19)47-35(37,38)39;1-44-46-34-30-15-22(20-5-3-7-24(13-20)48-36(40,41)42)9-11-26(30)28-16-31-27(17-32(28)34)25-10-8-21(14-29(25)33(31)45-18-43)19-4-2-6-23(12-19)47-35(37,38)39;1-42-46-32-26-11-18(20-5-9-30(44-15-20)34(38,39)40)3-7-22(26)24-12-27-23(13-28(24)32)21-6-2-17(10-25(21)31(27)45-16-41)19-4-8-29(43-14-19)33(35,36)37/h2*3-18H;4-17H;3-14,17-18H;2*2-17H;2-15H/b2*37-35-,38-36+;39-37-,40-38+;35-31-,36-32+;2*45-33+,46-34+;45-31+,46-32+
InChIKeyHBCDLPAPSSCBJX-BEHYWQHCSA-N
XLogP69.97
TPSA537.36 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms344
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004603.91
LogP ≤ 569.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-6-isocyanoimino-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide with MolForge

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Related Compounds

2-[3,6-Di(isoquinolin-1-yl)-2,7-bis(trifluoromethoxy)fluoren-9-ylidene]propanedinitrile
CID 146535364
(3E,7E)-3,7-bis[cyano-(3,5-dicyanophenyl)methylidene]-2,6-dipyridin-2-yl-4,8-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1,5-dicarbonitrile
CID 155139741
5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-dipyridin-2-yl-4,8-bis[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile
CID 155618526
2-cyclopropyl-4-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2,6-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);5-fluoro-2-methoxy-4-propan-2-ylpyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-3-propan-2-ylbenzene;3-methylbut-1-enylbenzene;3-methylbutylcyclopropane;1-methyl-4-(2-methylpropyl)benzene;2-methyl-4-propan-2-ylpyridine;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;propan-2-ylcyclohexane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile
CID 157257878
CID 157566422
CID 157566422
(3Z)-3-[cyano(isocyano)methylidene]-2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-1-isocyanoindene-5-carbonitrile;(2Z)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethyl)inden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile
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2-[(5Z)-3-cyano-5-[cyano(isocyano)methylidene]-4,8-bis(4-cyanophenyl)-2,6-difluoro-7-isocyano-s-indacen-1-ylidene]propanedinitrile;2-[(5Z)-3-cyano-5-[cyano(isocyano)methylidene]-2,6-difluoro-7-isocyano-4,8-bis[3-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]propanedinitrile;2-[3-cyano-5-(diisocyanomethylidene)-2,6-difluoro-7-isocyano-4,8-dipyridin-2-yl-s-indacen-1-ylidene]propanedinitrile
CID 157770375
2-tert-butylbenzonitrile;3-tert-butylbenzonitrile;4-tert-butylbenzonitrile;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-2-fluoropyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 157801975
2-fluoro-4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;2-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole
CID 157803903
(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-4,8-bis(4-cyanophenyl)-2,6-difluoro-5-isocyano-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2,6-difluoro-5-isocyano-4,8-diphenyl-s-indacene-1-carbonitrile;2-[(5Z)-3-cyano-5-[cyano(isocyano)methylidene]-2,6-difluoro-7-isocyano-4,8-bis[3-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]propanedinitrile;2-[(5Z)-3-cyano-5-[cyano(isocyano)methylidene]-2,6-difluoro-7-isocyano-4,8-dipyridin-2-yl-s-indacen-1-ylidene]propanedinitrile
CID 157988264
2',7'-bis(2-methylbutoxy)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-bis(trifluoromethyl)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-difluorospiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];tetrakis(iridium);2'-(2-methylbutyl)-7'-pentan-2-ylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]
CID 158071499
(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-dipyridin-2-yl-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2-(4-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacene-1,5-dicarbonitrile
CID 158148647

Frequently Asked Questions

What is the IUPAC name of 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-6-isocyanoimino-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide?
The IUPAC name of 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-6-isocyanoimino-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide (CID 172927881) is 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-6-isocyanoimino-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide.
What is the SMILES notation for 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-6-isocyanoimino-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide?
The canonical SMILES for 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-6-isocyanoimino-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide is [C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(C(F)(F)F)nc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(C(F)(F)F)nc2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(F)c(C#N)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(F)c([N+]#[C-])c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3cccc(OC(F)(F)F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2cccc(OC(F)(F)F)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/N=c1\c2cc(-c3ccc(C(F)(F)F)nc3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(C(F)(F)F)nc5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(OC(F)(F)F)cc5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3cccc(OC(F)(F)F)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5cccc(OC(F)(F)F)c5)ccc4c3cc12.
What is the InChIKey of 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-6-isocyanoimino-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide?
The InChIKey is HBCDLPAPSSCBJX-BEHYWQHCSA-N. The full InChI is InChI=1S/2C40H16F6N4O2.C40H14F2N6.C38H14F6N6.2C36H16F6N4O2.C34H14F6N6/c1-49-35(19-47)37-31-15-23(21-3-9-25(10-4-21)51-39(41,42)43)7-13-27(31)29-18-34-30(17-33(29)37)28-14-8-24(16-32(28)38(34)36(20-48)50-2)22-5-11-26(12-6-22)52-40(44,45)46;1-49-35(19-47)37-31-15-23(21-5-3-7-25(13-21)51-39(41,42)43)9-11-27(31)29-18-34-30(17-33(29)37)28-12-10-24(16-32(28)38(34)36(20-48)50-2)22-6-4-8-26(14-22)52-40(44,45)46;1-46-36-15-24(7-11-35(36)42)23-5-9-27-29-17-32-28(16-33(29)40(31(27)14-23)38(20-45)48-3)26-8-4-22(13-30(26)39(32)37(19-44)47-2)21-6-10-34(41)25(12-21)18-43;1-47-31(15-45)35-27-11-19(21-5-9-33(49-17-21)37(39,40)41)3-7-23(27)25-14-30-26(13-29(25)35)24-8-4-20(12-28(24)36(30)32(16-46)48-2)22-6-10-34(50-18-22)38(42,43)44;1-44-46-34-30-15-22(20-4-10-24(11-5-20)48-36(40,41)42)7-13-26(30)28-16-31-27(17-32(28)34)25-12-6-21(14-29(25)33(31)45-18-43)19-2-8-23(9-3-19)47-35(37,38)39;1-44-46-34-30-15-22(20-5-3-7-24(13-20)48-36(40,41)42)9-11-26(30)28-16-31-27(17-32(28)34)25-10-8-21(14-29(25)33(31)45-18-43)19-4-2-6-23(12-19)47-35(37,38)39;1-42-46-32-26-11-18(20-5-9-30(44-15-20)34(38,39)40)3-7-22(26)24-12-27-23(13-28(24)32)21-6-2-17(10-25(21)31(27)45-16-41)19-4-8-29(43-14-19)33(35,36)37/h2*3-18H;4-17H;3-14,17-18H;2*2-17H;2-15H/b2*37-35-,38-36+;39-37-,40-38+;35-31-,36-32+;2*45-33+,46-34+;45-31+,46-32+.
What are the key properties of 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-6-isocyanoimino-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide?
5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-6-isocyanoimino-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide has a molecular weight of 4603.91 g/mol, XLogP of 69.97, 22 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-6-isocyanoimino-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide is sourced from PubChem (CID 172927881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).