(9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-methylphenyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-propan-2-yloxyphenyl)-3-[3-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-octylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-trimethylsilylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-dipyridin-4-ylfluorene-2-carbonitrile

C206H126F18N28O3Si2 — CID 160597570

IUPAC(9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-methylphenyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-propan-2-yloxyphenyl)-3-[3-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-octylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-trimethylsilylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-dipyridin-4-ylfluorene-2-carbonitrile
SMILES[C-]#[N+]/C(C#N)=C1/c2cc(C#N)c(-c3c(F)c(F)nc(F)c3F)cc2-c2cc(-c3c(F)c(F)nc(F)c3F)c([N+]#[C-])cc21.[C-]#[N+]/C(C#N)=C1/c2cc(C#N)c(-c3ccc(CCCCCCCC)cc3)cc2-c2cc(-c3ccc(CCCCCCCC)cc3)c([N+]#[C-])cc21.[C-]#[N+]/C(C#N)=C1/c2cc(C#N)c(-c3ccc(OC(C)C(F)(F)F)c(F)c3)cc2-c2cc(-c3ccc(OC(C)C)c(F)c3)c([N+]#[C-])cc21.[C-]#[N+]/C(C#N)=C1/c2cc(C#N)c(-c3ccc(OC(F)(F)F)c(F)c3)cc2-c2cc(-c3ccc(C)c(F)c3)c([N+]#[C-])cc21.[C-]#[N+]/C(C#N)=C1/c2cc(C#N)c(-c3ccc([Si](C)(C)C)cc3)cc2-c2cc(-c3ccc([Si](C)(C)C)cc3)c([N+]#[C-])cc21.[C-]#[N+]/C(C#N)=C1/c2cc(C#N)c(-c3ccncc3)cc2-c2cc(-c3ccncc3)c([N+]#[C-])cc21
InChIInChI=1S/C46H46N4.C36H21F5N4O2.C36H30N4Si2.C32H13F5N4O.C28H4F8N6.C28H12N6/c1-5-7-9-11-13-15-17-33-19-23-35(24-20-33)38-28-40-41-29-39(36-25-21-34(22-26-36)18-16-14-12-10-8-6-2)44(49-3)30-43(41)46(45(32-48)50-4)42(40)27-37(38)31-47;1-18(2)46-33-8-7-21(12-29(33)37)24-14-26-25-13-23(20-6-9-34(30(38)11-20)47-19(3)36(39,40)41)22(16-42)10-27(25)35(32(17-43)45-5)28(26)15-31(24)44-4;1-39-34-20-33-31(19-29(34)24-11-15-27(16-12-24)42(6,7)8)30-18-28(23-9-13-26(14-10-23)41(3,4)5)25(21-37)17-32(30)36(33)35(22-38)40-2;1-16-4-5-18(9-26(16)33)21-12-23-22-11-20(17-6-7-30(27(34)10-17)42-32(35,36)37)19(14-38)8-24(22)31(29(15-39)41-3)25(23)13-28(21)40-2;1-39-16-6-14-12(5-15(16)20-23(31)27(35)42-28(36)24(20)32)11-4-10(19-21(29)25(33)41-26(34)22(19)30)9(7-37)3-13(11)18(14)17(8-38)40-2;1-31-26-14-25-23(13-21(26)18-5-9-34-10-6-18)22-12-20(17-3-7-33-8-4-17)19(15-29)11-24(22)28(25)27(16-30)32-2/h19-30H,5-18H2,1-2H3;6-15,18-19H,1-3H3;9-20H,3-8H3;4-13H,1H3;3-6H;3-14H/b46-45-;35-32-;36-35-;31-29-;18-17-;28-27-
InChIKeyRDVMVRHHHAYRBG-JNOUXPOWSA-N
MW3439.60 g/mol
LogP55.22
Rot. Bonds33

About (9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-methylphenyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-propan-2-yloxyphenyl)-3-[3-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-octylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-trimethylsilylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-dipyridin-4-ylfluorene-2-carbonitrile

(9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-methylphenyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-propan-2-yloxyphenyl)-3-[3-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-octylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-trimethylsilylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-dipyridin-4-ylfluorene-2-carbonitrile (PubChem CID 160597570) has the molecular formula C206H126F18N28O3Si2 and a molecular weight of 3439.60 g/mol. Its IUPAC name is (9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-methylphenyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-propan-2-yloxyphenyl)-3-[3-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-octylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-trimethylsilylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-dipyridin-4-ylfluorene-2-carbonitrile.

Molecular Properties

Compound Name(9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-methylphenyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-propan-2-yloxyphenyl)-3-[3-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-octylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-trimethylsilylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-dipyridin-4-ylfluorene-2-carbonitrile
PubChem CID160597570
Molecular FormulaC206H126F18N28O3Si2
Molecular Weight3439.60 g/mol
Exact Mass3436.98
IUPAC Name(9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-methylphenyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-propan-2-yloxyphenyl)-3-[3-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-octylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-trimethylsilylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-dipyridin-4-ylfluorene-2-carbonitrile
SMILES[C-]#[N+]/C(C#N)=C1/c2cc(C#N)c(-c3c(F)c(F)nc(F)c3F)cc2-c2cc(-c3c(F)c(F)nc(F)c3F)c([N+]#[C-])cc21.[C-]#[N+]/C(C#N)=C1/c2cc(C#N)c(-c3ccc(CCCCCCCC)cc3)cc2-c2cc(-c3ccc(CCCCCCCC)cc3)c([N+]#[C-])cc21.[C-]#[N+]/C(C#N)=C1/c2cc(C#N)c(-c3ccc(OC(C)C(F)(F)F)c(F)c3)cc2-c2cc(-c3ccc(OC(C)C)c(F)c3)c([N+]#[C-])cc21.[C-]#[N+]/C(C#N)=C1/c2cc(C#N)c(-c3ccc(OC(F)(F)F)c(F)c3)cc2-c2cc(-c3ccc(C)c(F)c3)c([N+]#[C-])cc21.[C-]#[N+]/C(C#N)=C1/c2cc(C#N)c(-c3ccc([Si](C)(C)C)cc3)cc2-c2cc(-c3ccc([Si](C)(C)C)cc3)c([N+]#[C-])cc21.[C-]#[N+]/C(C#N)=C1/c2cc(C#N)c(-c3ccncc3)cc2-c2cc(-c3ccncc3)c([N+]#[C-])cc21
InChIInChI=1S/C46H46N4.C36H21F5N4O2.C36H30N4Si2.C32H13F5N4O.C28H4F8N6.C28H12N6/c1-5-7-9-11-13-15-17-33-19-23-35(24-20-33)38-28-40-41-29-39(36-25-21-34(22-26-36)18-16-14-12-10-8-6-2)44(49-3)30-43(41)46(45(32-48)50-4)42(40)27-37(38)31-47;1-18(2)46-33-8-7-21(12-29(33)37)24-14-26-25-13-23(20-6-9-34(30(38)11-20)47-19(3)36(39,40)41)22(16-42)10-27(25)35(32(17-43)45-5)28(26)15-31(24)44-4;1-39-34-20-33-31(19-29(34)24-11-15-27(16-12-24)42(6,7)8)30-18-28(23-9-13-26(14-10-23)41(3,4)5)25(21-37)17-32(30)36(33)35(22-38)40-2;1-16-4-5-18(9-26(16)33)21-12-23-22-11-20(17-6-7-30(27(34)10-17)42-32(35,36)37)19(14-38)8-24(22)31(29(15-39)41-3)25(23)13-28(21)40-2;1-39-16-6-14-12(5-15(16)20-23(31)27(35)42-28(36)24(20)32)11-4-10(19-21(29)25(33)41-26(34)22(19)30)9(7-37)3-13(11)18(14)17(8-38)40-2;1-31-26-14-25-23(13-21(26)18-5-9-34-10-6-18)22-12-20(17-3-7-33-8-4-17)19(15-29)11-24(22)28(25)27(16-30)32-2/h19-30H,5-18H2,1-2H3;6-15,18-19H,1-3H3;9-20H,3-8H3;4-13H,1H3;3-6H;3-14H/b46-45-;35-32-;36-35-;31-29-;18-17-;28-27-
InChIKeyRDVMVRHHHAYRBG-JNOUXPOWSA-N
XLogP55.22
TPSA417.05 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds33
Heavy Atoms257
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003439.60
LogP ≤ 555.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze (9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-methylphenyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-propan-2-yloxyphenyl)-3-[3-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-octylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-trimethylsilylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-dipyridin-4-ylfluorene-2-carbonitrile with MolForge

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Related Compounds

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
CID 158789276
CID 158789276
CID 158979775
CID 158979775
(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-(3-cyanophenyl)-7-isocyano-6-(3-isocyanophenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-(4-cyano-2,3,5,6-tetrafluorophenyl)-7-isocyano-6-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-bis(2,3,4,5,6-pentafluorophenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-dipyridin-2-yl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-s-indacene-1-carbonitrile
CID 159701323
4-[(Z)-2-cyano-1-[3-(3,5-difluoro-4-methylphenyl)-4-isocyanophenyl]-2-isocyanoethenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]benzonitrile;[2-cyano-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dipyridin-4-yl-9H-fluoren-9-yl)cyanamide;(9Z)-9-[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-6-isocyano-7-(4-isocyano-3-methylphenyl)fluorene-3-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4-difluoro-5-methylphenyl)-2-[3,4-difluoro-5-(trifluoromethoxy)phenyl]-6-isocyanofluorene-3-carbonitrile
CID 159856263
5,10-Bis(4-methoxyphenyl)benzo[g]quinoline;5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]quinoline;4-[10-(4-cyanophenyl)benzo[g]quinolin-5-yl]benzonitrile;5,10-di(acridin-9-yl)benzo[g]quinoline;trimethyl-[4-[5-(4-trimethylsilylphenyl)benzo[g]quinolin-10-yl]phenyl]silane;triphenyl-[4-[5-(4-triphenylsilylphenyl)benzo[g]quinolin-10-yl]phenyl]silane
CID 160393457
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
CID 172930348
CID 172930348
CID 172936741
CID 172936741
CID 172939411
CID 172939411
[(6E)-2,8-bis(2-fluoro-4-pyridinyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(2-fluoro-4-pyridinyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;[(6E)-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide
CID 172940577
CID 172955092
CID 172955092

Frequently Asked Questions

What is the IUPAC name of (9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-methylphenyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-propan-2-yloxyphenyl)-3-[3-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-octylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-trimethylsilylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-dipyridin-4-ylfluorene-2-carbonitrile?
The IUPAC name of (9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-methylphenyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-propan-2-yloxyphenyl)-3-[3-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-octylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-trimethylsilylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-dipyridin-4-ylfluorene-2-carbonitrile (CID 160597570) is (9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-methylphenyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-propan-2-yloxyphenyl)-3-[3-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-octylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-trimethylsilylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-dipyridin-4-ylfluorene-2-carbonitrile.
What is the SMILES notation for (9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-methylphenyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-propan-2-yloxyphenyl)-3-[3-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-octylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-trimethylsilylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-dipyridin-4-ylfluorene-2-carbonitrile?
The canonical SMILES for (9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-methylphenyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-propan-2-yloxyphenyl)-3-[3-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-octylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-trimethylsilylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-dipyridin-4-ylfluorene-2-carbonitrile is [C-]#[N+]/C(C#N)=C1/c2cc(C#N)c(-c3c(F)c(F)nc(F)c3F)cc2-c2cc(-c3c(F)c(F)nc(F)c3F)c([N+]#[C-])cc21.[C-]#[N+]/C(C#N)=C1/c2cc(C#N)c(-c3ccc(CCCCCCCC)cc3)cc2-c2cc(-c3ccc(CCCCCCCC)cc3)c([N+]#[C-])cc21.[C-]#[N+]/C(C#N)=C1/c2cc(C#N)c(-c3ccc(OC(C)C(F)(F)F)c(F)c3)cc2-c2cc(-c3ccc(OC(C)C)c(F)c3)c([N+]#[C-])cc21.[C-]#[N+]/C(C#N)=C1/c2cc(C#N)c(-c3ccc(OC(F)(F)F)c(F)c3)cc2-c2cc(-c3ccc(C)c(F)c3)c([N+]#[C-])cc21.[C-]#[N+]/C(C#N)=C1/c2cc(C#N)c(-c3ccc([Si](C)(C)C)cc3)cc2-c2cc(-c3ccc([Si](C)(C)C)cc3)c([N+]#[C-])cc21.[C-]#[N+]/C(C#N)=C1/c2cc(C#N)c(-c3ccncc3)cc2-c2cc(-c3ccncc3)c([N+]#[C-])cc21.
What is the InChIKey of (9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-methylphenyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-propan-2-yloxyphenyl)-3-[3-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-octylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-trimethylsilylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-dipyridin-4-ylfluorene-2-carbonitrile?
The InChIKey is RDVMVRHHHAYRBG-JNOUXPOWSA-N. The full InChI is InChI=1S/C46H46N4.C36H21F5N4O2.C36H30N4Si2.C32H13F5N4O.C28H4F8N6.C28H12N6/c1-5-7-9-11-13-15-17-33-19-23-35(24-20-33)38-28-40-41-29-39(36-25-21-34(22-26-36)18-16-14-12-10-8-6-2)44(49-3)30-43(41)46(45(32-48)50-4)42(40)27-37(38)31-47;1-18(2)46-33-8-7-21(12-29(33)37)24-14-26-25-13-23(20-6-9-34(30(38)11-20)47-19(3)36(39,40)41)22(16-42)10-27(25)35(32(17-43)45-5)28(26)15-31(24)44-4;1-39-34-20-33-31(19-29(34)24-11-15-27(16-12-24)42(6,7)8)30-18-28(23-9-13-26(14-10-23)41(3,4)5)25(21-37)17-32(30)36(33)35(22-38)40-2;1-16-4-5-18(9-26(16)33)21-12-23-22-11-20(17-6-7-30(27(34)10-17)42-32(35,36)37)19(14-38)8-24(22)31(29(15-39)41-3)25(23)13-28(21)40-2;1-39-16-6-14-12(5-15(16)20-23(31)27(35)42-28(36)24(20)32)11-4-10(19-21(29)25(33)41-26(34)22(19)30)9(7-37)3-13(11)18(14)17(8-38)40-2;1-31-26-14-25-23(13-21(26)18-5-9-34-10-6-18)22-12-20(17-3-7-33-8-4-17)19(15-29)11-24(22)28(25)27(16-30)32-2/h19-30H,5-18H2,1-2H3;6-15,18-19H,1-3H3;9-20H,3-8H3;4-13H,1H3;3-6H;3-14H/b46-45-;35-32-;36-35-;31-29-;18-17-;28-27-.
What are the key properties of (9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-methylphenyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-propan-2-yloxyphenyl)-3-[3-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-octylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-trimethylsilylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-dipyridin-4-ylfluorene-2-carbonitrile?
(9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-methylphenyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-propan-2-yloxyphenyl)-3-[3-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-octylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-trimethylsilylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-dipyridin-4-ylfluorene-2-carbonitrile has a molecular weight of 3439.60 g/mol, XLogP of 55.22, 33 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-methylphenyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-6-(3-fluoro-4-propan-2-yloxyphenyl)-3-[3-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-isocyanofluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-octylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-bis(4-trimethylsilylphenyl)fluorene-2-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-isocyano-3,6-dipyridin-4-ylfluorene-2-carbonitrile is sourced from PubChem (CID 160597570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).