(1Z)-1-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-3-isocyanoindene-4,5,6,7-tetracarbonitrile;(3E)-3-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-4,6,7-trifluoro-1-isocyanoindene-5-carbonitrile;(2E)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[7-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-1,2,3,4-tetrafluorofluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyanoinden-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,7-trifluoro-3-isocyano-6-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile

C190H52F24N36O2 — CID 160909991

IUPAC(1Z)-1-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-3-isocyanoindene-4,5,6,7-tetracarbonitrile;(3E)-3-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-4,6,7-trifluoro-1-isocyanoindene-5-carbonitrile;(2E)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[7-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-1,2,3,4-tetrafluorofluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyanoinden-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,7-trifluoro-3-isocyano-6-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile
SMILES[C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2c(F)c(F)c(F)c(F)c2-3)/C(=C(/C#N)[N+]#[C-])c2c(F)c(F)c(F)c(F)c21.[C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2cc(-c4nc(F)c(F)c(F)c4F)ccc2-3)/C(=C(/C#N)[N+]#[C-])c2ccccc21.[C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2cc(C)ccc2-3)/C(=C(/C#N)[N+]#[C-])c2c(C#N)c(C#N)c(C#N)c(C#N)c21.[C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2cc(C)ccc2-3)/C(=C(/C#N)[N+]#[C-])c2c(F)c(C#N)c(F)c(F)c21.[C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2cc(C)ccc2-3)/C(=C(/C#N)[N+]#[C-])c2c(F)c(OC(F)(F)F)c(F)c(F)c21.[C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2cc(C)ccc2-3)/C(=C(/C#N)[N+]#[C-])c2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C34H10F4N6.C34H9N9.C31H9F6N5O.C31H9F3N6.C31H12F3N5O.C29H3F8N5/c1-41-24(14-39)27-22-12-16(26-28(25(15-40)42-2)20-6-4-5-7-21(20)33(26)43-3)8-10-18(22)19-11-9-17(13-23(19)27)32-30(36)29(35)31(37)34(38)44-32;1-17-5-7-19-20-8-6-18(10-22(20)30(21(19)9-17)27(15-39)41-2)29-33(28(16-40)42-3)31-25(13-37)23(11-35)24(12-36)26(14-38)32(31)34(29)43-4;1-13-5-7-15-16-8-6-14(10-18(16)22(17(15)9-13)19(11-38)40-2)21-23(20(12-39)41-3)24-25(29(21)42-4)26(32)28(34)30(27(24)33)43-31(35,36)37;1-14-5-7-16-17-8-6-15(10-19(17)24(18(16)9-14)21(12-36)38-2)23-25(22(13-37)39-3)26-27(31(23)40-4)30(34)29(33)20(11-35)28(26)32;1-16-5-8-19-20-9-6-17(12-23(20)28(22(19)11-16)25(14-35)37-2)27-29(26(15-36)38-3)24-13-18(40-31(32,33)34)7-10-21(24)30(27)39-4;1-40-12(7-38)15-11-6-9(4-5-10(11)16-18(15)22(31)26(35)25(34)21(16)30)14-17(13(8-39)41-2)19-20(29(14)42-3)24(33)28(37)27(36)23(19)32/h4-13H;2*5-10H,1H3;5-10H,1H3;5-13H,1H3;4-6H/b27-24-,28-25-;30-27+,33-28+;22-19+,23-20+;24-21+,25-22+;28-25+,29-26-;15-12-,17-13+
InChIKeySQQNXBNCIADLPL-PCRGSJIUSA-N
MW3326.71 g/mol
LogP46.90
Rot. Bonds9

About (1Z)-1-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-3-isocyanoindene-4,5,6,7-tetracarbonitrile;(3E)-3-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-4,6,7-trifluoro-1-isocyanoindene-5-carbonitrile;(2E)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[7-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-1,2,3,4-tetrafluorofluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyanoinden-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,7-trifluoro-3-isocyano-6-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile

(1Z)-1-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-3-isocyanoindene-4,5,6,7-tetracarbonitrile;(3E)-3-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-4,6,7-trifluoro-1-isocyanoindene-5-carbonitrile;(2E)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[7-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-1,2,3,4-tetrafluorofluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyanoinden-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,7-trifluoro-3-isocyano-6-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile (PubChem CID 160909991) has the molecular formula C190H52F24N36O2 and a molecular weight of 3326.71 g/mol. Its IUPAC name is (1Z)-1-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-3-isocyanoindene-4,5,6,7-tetracarbonitrile;(3E)-3-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-4,6,7-trifluoro-1-isocyanoindene-5-carbonitrile;(2E)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[7-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-1,2,3,4-tetrafluorofluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyanoinden-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,7-trifluoro-3-isocyano-6-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile.

Molecular Properties

Compound Name(1Z)-1-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-3-isocyanoindene-4,5,6,7-tetracarbonitrile;(3E)-3-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-4,6,7-trifluoro-1-isocyanoindene-5-carbonitrile;(2E)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[7-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-1,2,3,4-tetrafluorofluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyanoinden-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,7-trifluoro-3-isocyano-6-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile
PubChem CID160909991
Molecular FormulaC190H52F24N36O2
Molecular Weight3326.71 g/mol
Exact Mass3324.47
IUPAC Name(1Z)-1-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-3-isocyanoindene-4,5,6,7-tetracarbonitrile;(3E)-3-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-4,6,7-trifluoro-1-isocyanoindene-5-carbonitrile;(2E)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[7-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-1,2,3,4-tetrafluorofluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyanoinden-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,7-trifluoro-3-isocyano-6-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile
SMILES[C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2c(F)c(F)c(F)c(F)c2-3)/C(=C(/C#N)[N+]#[C-])c2c(F)c(F)c(F)c(F)c21.[C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2cc(-c4nc(F)c(F)c(F)c4F)ccc2-3)/C(=C(/C#N)[N+]#[C-])c2ccccc21.[C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2cc(C)ccc2-3)/C(=C(/C#N)[N+]#[C-])c2c(C#N)c(C#N)c(C#N)c(C#N)c21.[C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2cc(C)ccc2-3)/C(=C(/C#N)[N+]#[C-])c2c(F)c(C#N)c(F)c(F)c21.[C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2cc(C)ccc2-3)/C(=C(/C#N)[N+]#[C-])c2c(F)c(OC(F)(F)F)c(F)c(F)c21.[C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2cc(C)ccc2-3)/C(=C(/C#N)[N+]#[C-])c2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C34H10F4N6.C34H9N9.C31H9F6N5O.C31H9F3N6.C31H12F3N5O.C29H3F8N5/c1-41-24(14-39)27-22-12-16(26-28(25(15-40)42-2)20-6-4-5-7-21(20)33(26)43-3)8-10-18(22)19-11-9-17(13-23(19)27)32-30(36)29(35)31(37)34(38)44-32;1-17-5-7-19-20-8-6-18(10-22(20)30(21(19)9-17)27(15-39)41-2)29-33(28(16-40)42-3)31-25(13-37)23(11-35)24(12-36)26(14-38)32(31)34(29)43-4;1-13-5-7-15-16-8-6-14(10-18(16)22(17(15)9-13)19(11-38)40-2)21-23(20(12-39)41-3)24-25(29(21)42-4)26(32)28(34)30(27(24)33)43-31(35,36)37;1-14-5-7-16-17-8-6-15(10-19(17)24(18(16)9-14)21(12-36)38-2)23-25(22(13-37)39-3)26-27(31(23)40-4)30(34)29(33)20(11-35)28(26)32;1-16-5-8-19-20-9-6-17(12-23(20)28(22(19)11-16)25(14-35)37-2)27-29(26(15-36)38-3)24-13-18(40-31(32,33)34)7-10-21(24)30(27)39-4;1-40-12(7-38)15-11-6-9(4-5-10(11)16-18(15)22(31)26(35)25(34)21(16)30)14-17(13(8-39)41-2)19-20(29(14)42-3)24(33)28(37)27(36)23(19)32/h4-13H;2*5-10H,1H3;5-10H,1H3;5-13H,1H3;4-6H/b27-24-,28-25-;30-27+,33-28+;22-19+,23-20+;24-21+,25-22+;28-25+,29-26-;15-12-,17-13+
InChIKeySQQNXBNCIADLPL-PCRGSJIUSA-N
XLogP46.90
TPSA514.26 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003326.71
LogP ≤ 546.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze (1Z)-1-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-3-isocyanoindene-4,5,6,7-tetracarbonitrile;(3E)-3-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-4,6,7-trifluoro-1-isocyanoindene-5-carbonitrile;(2E)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[7-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-1,2,3,4-tetrafluorofluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyanoinden-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,7-trifluoro-3-isocyano-6-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile with MolForge

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Related Compounds

(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyano-6-methylinden-1-ylidene]-2-isocyanoacetonitrile
CID 159803694
(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyanoinden-1-ylidene]-2-isocyanoacetonitrile
CID 140872804
(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
CID 158830536
(2E)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]fluoren-9-ylidene]-2-isocyanoacetonitrile
CID 140872818
(2Z)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-fluorofluoren-9-ylidene]-2-isocyanoacetonitrile
CID 140872795
(2Z)-2-[7-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-1,2,3,4-tetrafluorofluoren-9-ylidene]-2-isocyanoacetonitrile
CID 140872812
(2E)-2-[(21Z)-21-[cyano(isocyano)methylidene]-6-methyl-18-(trifluoromethoxy)-9-hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaenylidene]-2-isocyanoacetonitrile
CID 58518259
(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-7-(trifluoromethoxy)-10-hexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaenylidene]-2-isocyanoacetonitrile
CID 58518245
(3E)-3-[cyano(isocyano)methylidene]-2-[4-[(1Z)-1-[cyano(isocyano)methylidene]-3-isocyano-5-(trifluoromethoxy)inden-2-yl]-2,5-difluorophenyl]-6-methylindene-1-carbonitrile
CID 159019625
(3E)-3-[cyano(isocyano)methylidene]-2-[6-[(1Z)-1-[cyano(isocyano)methylidene]-3-isocyano-5-(trifluoromethoxy)inden-2-yl]-3-pyridinyl]-6-methylindene-1-carbonitrile
CID 158979777
(2E)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethyl)inden-2-yl]fluoren-9-ylidene]-2-isocyanoacetonitrile
CID 140872807
(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile
CID 58509761

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-3-isocyanoindene-4,5,6,7-tetracarbonitrile;(3E)-3-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-4,6,7-trifluoro-1-isocyanoindene-5-carbonitrile;(2E)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[7-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-1,2,3,4-tetrafluorofluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyanoinden-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,7-trifluoro-3-isocyano-6-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile?
The IUPAC name of (1Z)-1-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-3-isocyanoindene-4,5,6,7-tetracarbonitrile;(3E)-3-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-4,6,7-trifluoro-1-isocyanoindene-5-carbonitrile;(2E)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[7-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-1,2,3,4-tetrafluorofluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyanoinden-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,7-trifluoro-3-isocyano-6-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile (CID 160909991) is (1Z)-1-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-3-isocyanoindene-4,5,6,7-tetracarbonitrile;(3E)-3-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-4,6,7-trifluoro-1-isocyanoindene-5-carbonitrile;(2E)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[7-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-1,2,3,4-tetrafluorofluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyanoinden-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,7-trifluoro-3-isocyano-6-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile.
What is the SMILES notation for (1Z)-1-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-3-isocyanoindene-4,5,6,7-tetracarbonitrile;(3E)-3-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-4,6,7-trifluoro-1-isocyanoindene-5-carbonitrile;(2E)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[7-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-1,2,3,4-tetrafluorofluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyanoinden-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,7-trifluoro-3-isocyano-6-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile?
The canonical SMILES for (1Z)-1-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-3-isocyanoindene-4,5,6,7-tetracarbonitrile;(3E)-3-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-4,6,7-trifluoro-1-isocyanoindene-5-carbonitrile;(2E)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[7-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-1,2,3,4-tetrafluorofluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyanoinden-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,7-trifluoro-3-isocyano-6-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile is [C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2c(F)c(F)c(F)c(F)c2-3)/C(=C(/C#N)[N+]#[C-])c2c(F)c(F)c(F)c(F)c21.[C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2cc(-c4nc(F)c(F)c(F)c4F)ccc2-3)/C(=C(/C#N)[N+]#[C-])c2ccccc21.[C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2cc(C)ccc2-3)/C(=C(/C#N)[N+]#[C-])c2c(C#N)c(C#N)c(C#N)c(C#N)c21.[C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2cc(C)ccc2-3)/C(=C(/C#N)[N+]#[C-])c2c(F)c(C#N)c(F)c(F)c21.[C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2cc(C)ccc2-3)/C(=C(/C#N)[N+]#[C-])c2c(F)c(OC(F)(F)F)c(F)c(F)c21.[C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2cc(C)ccc2-3)/C(=C(/C#N)[N+]#[C-])c2cc(OC(F)(F)F)ccc21.
What is the InChIKey of (1Z)-1-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-3-isocyanoindene-4,5,6,7-tetracarbonitrile;(3E)-3-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-4,6,7-trifluoro-1-isocyanoindene-5-carbonitrile;(2E)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[7-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-1,2,3,4-tetrafluorofluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyanoinden-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,7-trifluoro-3-isocyano-6-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile?
The InChIKey is SQQNXBNCIADLPL-PCRGSJIUSA-N. The full InChI is InChI=1S/C34H10F4N6.C34H9N9.C31H9F6N5O.C31H9F3N6.C31H12F3N5O.C29H3F8N5/c1-41-24(14-39)27-22-12-16(26-28(25(15-40)42-2)20-6-4-5-7-21(20)33(26)43-3)8-10-18(22)19-11-9-17(13-23(19)27)32-30(36)29(35)31(37)34(38)44-32;1-17-5-7-19-20-8-6-18(10-22(20)30(21(19)9-17)27(15-39)41-2)29-33(28(16-40)42-3)31-25(13-37)23(11-35)24(12-36)26(14-38)32(31)34(29)43-4;1-13-5-7-15-16-8-6-14(10-18(16)22(17(15)9-13)19(11-38)40-2)21-23(20(12-39)41-3)24-25(29(21)42-4)26(32)28(34)30(27(24)33)43-31(35,36)37;1-14-5-7-16-17-8-6-15(10-19(17)24(18(16)9-14)21(12-36)38-2)23-25(22(13-37)39-3)26-27(31(23)40-4)30(34)29(33)20(11-35)28(26)32;1-16-5-8-19-20-9-6-17(12-23(20)28(22(19)11-16)25(14-35)37-2)27-29(26(15-36)38-3)24-13-18(40-31(32,33)34)7-10-21(24)30(27)39-4;1-40-12(7-38)15-11-6-9(4-5-10(11)16-18(15)22(31)26(35)25(34)21(16)30)14-17(13(8-39)41-2)19-20(29(14)42-3)24(33)28(37)27(36)23(19)32/h4-13H;2*5-10H,1H3;5-10H,1H3;5-13H,1H3;4-6H/b27-24-,28-25-;30-27+,33-28+;22-19+,23-20+;24-21+,25-22+;28-25+,29-26-;15-12-,17-13+.
What are the key properties of (1Z)-1-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-3-isocyanoindene-4,5,6,7-tetracarbonitrile;(3E)-3-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-4,6,7-trifluoro-1-isocyanoindene-5-carbonitrile;(2E)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[7-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-1,2,3,4-tetrafluorofluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyanoinden-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,7-trifluoro-3-isocyano-6-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile?
(1Z)-1-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-3-isocyanoindene-4,5,6,7-tetracarbonitrile;(3E)-3-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-4,6,7-trifluoro-1-isocyanoindene-5-carbonitrile;(2E)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[7-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-1,2,3,4-tetrafluorofluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyanoinden-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,7-trifluoro-3-isocyano-6-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile has a molecular weight of 3326.71 g/mol, XLogP of 46.90, 9 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-3-isocyanoindene-4,5,6,7-tetracarbonitrile;(3E)-3-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-4,6,7-trifluoro-1-isocyanoindene-5-carbonitrile;(2E)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[7-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-1,2,3,4-tetrafluorofluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyanoinden-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,7-trifluoro-3-isocyano-6-(trifluoromethoxy)inden-2-yl]-7-methylfluoren-9-ylidene]-2-isocyanoacetonitrile is sourced from PubChem (CID 160909991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).