(1Z)-1-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-3-isocyanoindene-4,5,6,7-tetracarbonitrile;(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-[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-[(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;(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

C197H46F30N38O — CID 161157823

IUPAC(1Z)-1-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-3-isocyanoindene-4,5,6,7-tetracarbonitrile;(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-[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-[(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;(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-])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-])c2cc(C#N)ccc21.[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(OC(F)(F)F)c(F)c(F)c21
InChIInChI=1S/C35H9F4N7.C34H6F8N6.C34H10F4N6.C34H9N9.C31H9F6N5O.C29H3F8N5/c1-43-25(14-41)28-23-11-17(27-29(26(15-42)44-2)22-10-16(13-40)4-7-21(22)34(27)45-3)5-8-19(23)20-9-6-18(12-24(20)28)33-31(37)30(36)32(38)35(39)46-33;1-45-18(10-43)21-16-8-12(20-22(19(11-44)46-2)23-24(33(20)47-3)26(36)28(38)27(37)25(23)35)4-6-14(16)15-7-5-13(9-17(15)21)32-30(40)29(39)31(41)34(42)48-32;1-41-24(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;1-40-12(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/h4-12H;4-9H;4-13H;2*5-10H,1H3;4-6H/b28-25-,29-26-;21-18-,22-19+;27-24-,28-25-;30-27+,33-28+;22-19+,23-20+;15-12-,17-13+
InChIKeyUPNJAJKRRUAGKS-PHXSBWGVSA-N
MW3530.74 g/mol
LogP48.76
Rot. Bonds10

About (1Z)-1-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-3-isocyanoindene-4,5,6,7-tetracarbonitrile;(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-[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-[(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;(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;(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-[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-[(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;(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 161157823) has the molecular formula C197H46F30N38O and a molecular weight of 3530.74 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;(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-[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-[(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;(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;(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-[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-[(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;(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 CID161157823
Molecular FormulaC197H46F30N38O
Molecular Weight3530.74 g/mol
Exact Mass3528.42
IUPAC Name(1Z)-1-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-3-isocyanoindene-4,5,6,7-tetracarbonitrile;(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-[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-[(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;(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-])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-])c2cc(C#N)ccc21.[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(OC(F)(F)F)c(F)c(F)c21
InChIInChI=1S/C35H9F4N7.C34H6F8N6.C34H10F4N6.C34H9N9.C31H9F6N5O.C29H3F8N5/c1-43-25(14-41)28-23-11-17(27-29(26(15-42)44-2)22-10-16(13-40)4-7-21(22)34(27)45-3)5-8-19(23)20-9-6-18(12-24(20)28)33-31(37)30(36)32(38)35(39)46-33;1-45-18(10-43)21-16-8-12(20-22(19(11-44)46-2)23-24(33(20)47-3)26(36)28(38)27(37)25(23)35)4-6-14(16)15-7-5-13(9-17(15)21)32-30(40)29(39)31(41)34(42)48-32;1-41-24(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;1-40-12(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/h4-12H;4-9H;4-13H;2*5-10H,1H3;4-6H/b28-25-,29-26-;21-18-,22-19+;27-24-,28-25-;30-27+,33-28+;22-19+,23-20+;15-12-,17-13+
InChIKeyUPNJAJKRRUAGKS-PHXSBWGVSA-N
XLogP48.76
TPSA530.81 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds10
Heavy Atoms266
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003530.74
LogP ≤ 548.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze (1Z)-1-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-3-isocyanoindene-4,5,6,7-tetracarbonitrile;(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-[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-[(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;(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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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;(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-[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-[(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;(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;(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-[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-[(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;(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 161157823) is (1Z)-1-[cyano(isocyano)methylidene]-2-[(9E)-9-[cyano(isocyano)methylidene]-7-methylfluoren-2-yl]-3-isocyanoindene-4,5,6,7-tetracarbonitrile;(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-[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-[(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;(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;(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-[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-[(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;(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;(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-[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-[(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;(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-])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-])c2cc(C#N)ccc21.[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(OC(F)(F)F)c(F)c(F)c21.
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;(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-[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-[(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;(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 UPNJAJKRRUAGKS-PHXSBWGVSA-N. The full InChI is InChI=1S/C35H9F4N7.C34H6F8N6.C34H10F4N6.C34H9N9.C31H9F6N5O.C29H3F8N5/c1-43-25(14-41)28-23-11-17(27-29(26(15-42)44-2)22-10-16(13-40)4-7-21(22)34(27)45-3)5-8-19(23)20-9-6-18(12-24(20)28)33-31(37)30(36)32(38)35(39)46-33;1-45-18(10-43)21-16-8-12(20-22(19(11-44)46-2)23-24(33(20)47-3)26(36)28(38)27(37)25(23)35)4-6-14(16)15-7-5-13(9-17(15)21)32-30(40)29(39)31(41)34(42)48-32;1-41-24(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;1-40-12(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/h4-12H;4-9H;4-13H;2*5-10H,1H3;4-6H/b28-25-,29-26-;21-18-,22-19+;27-24-,28-25-;30-27+,33-28+;22-19+,23-20+;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;(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-[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-[(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;(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;(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-[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-[(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;(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 3530.74 g/mol, XLogP of 48.76, 10 rotatable bonds, 0 hydrogen bond donors, and 21 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;(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-[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-[(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;(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 161157823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).