[2-cyano-6-(4-cyanoquinazolin-2-yl)-7-isocyano-3-(4-isocyanoquinazolin-2-yl)fluoren-9-ylidene]cyanamide;[2-cyano-7-isocyano-3,6-di(isoquinolin-1-yl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dinaphthalen-2-ylfluoren-9-ylidene)cyanamide;[2-(2,3-dicyanoquinoxalin-6-yl)-7-(2,3-diisocyanoquinoxalin-6-yl)-6-methyl-3-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-2-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-4-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide

C218H96F20N42 — CID 157308269

IUPAC[2-cyano-6-(4-cyanoquinazolin-2-yl)-7-isocyano-3-(4-isocyanoquinazolin-2-yl)fluoren-9-ylidene]cyanamide;[2-cyano-7-isocyano-3,6-di(isoquinolin-1-yl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dinaphthalen-2-ylfluoren-9-ylidene)cyanamide;[2-(2,3-dicyanoquinoxalin-6-yl)-7-(2,3-diisocyanoquinoxalin-6-yl)-6-methyl-3-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-2-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-4-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide
SMILESCc1cc2c(cc1-c1c(F)c(F)nc(F)c1F)/C(=N\C#N)c1cc(-c3c(F)c(F)nc(F)c3F)c(C(F)(F)F)cc1-2.Cc1cc2c(cc1-c1ccccn1)/C(=N\C#N)c1cc(-c3ccccn3)c(C(F)(F)F)cc1-2.Cc1cc2c(cc1-c1ccncc1)/C(=N\C#N)c1cc(-c3ccncc3)c(C(F)(F)F)cc1-2.[C-]#[N+]c1cc2c(cc1-c1ccc3ccccc3c1)-c1cc(-c3ccc4ccccc4c3)c(C#N)cc1/C2=N/C#N.[C-]#[N+]c1cc2c(cc1-c1nc(C#N)c3ccccc3n1)-c1cc(-c3nc([N+]#[C-])c4ccccc4n3)c(C#N)cc1/C2=N/C#N.[C-]#[N+]c1cc2c(cc1-c1nccc3ccccc13)-c1cc(-c3nccc4ccccc34)c(C#N)cc1/C2=N/C#N.[C-]#[N+]c1nc2ccc(-c3cc4c(cc3C)-c3cc(C(F)(F)F)c(-c5ccc6nc(C#N)c(C#N)nc6c5)cc3/C4=N/C#N)cc2nc1[N+]#[C-]
InChIInChI=1S/C36H13F3N10.C36H18N4.C34H12N10.C34H16N6.C26H7F11N4.2C26H15F3N4/c1-17-8-22-23-13-26(36(37,38)39)21(19-5-6-27-29(10-19)47-32(15-41)31(14-40)46-27)12-25(23)33(45-16-42)24(22)11-20(17)18-4-7-28-30(9-18)49-35(44-3)34(43-2)48-28;1-39-35-19-34-32(18-30(35)27-13-11-23-7-3-5-9-25(23)15-27)31-17-29(28(20-37)16-33(31)36(34)40-21-38)26-12-10-22-6-2-4-8-24(22)14-26;1-38-29-14-25-23(13-26(29)34-41-27-9-5-3-7-19(27)30(16-36)43-34)22-12-21(18(15-35)11-24(22)31(25)40-17-37)33-42-28-10-6-4-8-20(28)32(39-2)44-33;1-37-31-17-29-27(16-30(31)33-24-9-5-3-7-21(24)11-13-39-33)26-15-25(22(18-35)14-28(26)34(29)40-19-36)32-23-8-4-2-6-20(23)10-12-38-32;1-7-2-9-10-5-14(26(35,36)37)13(16-19(29)24(33)41-25(34)20(16)30)4-12(10)21(39-6-38)11(9)3-8(7)15-17(27)22(31)40-23(32)18(15)28;1-15-10-20-21-13-24(26(27,28)29)19(17-4-8-32-9-5-17)12-23(21)25(33-14-30)22(20)11-18(15)16-2-6-31-7-3-16;1-15-10-17-18-13-22(26(27,28)29)21(24-7-3-5-9-32-24)12-20(18)25(33-14-30)19(17)11-16(15)23-6-2-4-8-31-23/h4-13H,1H3;2-19H;3-14H;2-17H;2-5H,1H3;2*2-13H,1H3/b45-33+;40-36-;40-31-;40-34-;39-21+;2*33-25+
InChIKeyBCTAGEQAVRLAFX-CPDBHNEASA-N
MW3683.42 g/mol
LogP52.74
Rot. Bonds14

About [2-cyano-6-(4-cyanoquinazolin-2-yl)-7-isocyano-3-(4-isocyanoquinazolin-2-yl)fluoren-9-ylidene]cyanamide;[2-cyano-7-isocyano-3,6-di(isoquinolin-1-yl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dinaphthalen-2-ylfluoren-9-ylidene)cyanamide;[2-(2,3-dicyanoquinoxalin-6-yl)-7-(2,3-diisocyanoquinoxalin-6-yl)-6-methyl-3-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-2-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-4-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide

[2-cyano-6-(4-cyanoquinazolin-2-yl)-7-isocyano-3-(4-isocyanoquinazolin-2-yl)fluoren-9-ylidene]cyanamide;[2-cyano-7-isocyano-3,6-di(isoquinolin-1-yl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dinaphthalen-2-ylfluoren-9-ylidene)cyanamide;[2-(2,3-dicyanoquinoxalin-6-yl)-7-(2,3-diisocyanoquinoxalin-6-yl)-6-methyl-3-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-2-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-4-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide (PubChem CID 157308269) has the molecular formula C218H96F20N42 and a molecular weight of 3683.42 g/mol. Its IUPAC name is [2-cyano-6-(4-cyanoquinazolin-2-yl)-7-isocyano-3-(4-isocyanoquinazolin-2-yl)fluoren-9-ylidene]cyanamide;[2-cyano-7-isocyano-3,6-di(isoquinolin-1-yl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dinaphthalen-2-ylfluoren-9-ylidene)cyanamide;[2-(2,3-dicyanoquinoxalin-6-yl)-7-(2,3-diisocyanoquinoxalin-6-yl)-6-methyl-3-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-2-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-4-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide.

Molecular Properties

Compound Name[2-cyano-6-(4-cyanoquinazolin-2-yl)-7-isocyano-3-(4-isocyanoquinazolin-2-yl)fluoren-9-ylidene]cyanamide;[2-cyano-7-isocyano-3,6-di(isoquinolin-1-yl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dinaphthalen-2-ylfluoren-9-ylidene)cyanamide;[2-(2,3-dicyanoquinoxalin-6-yl)-7-(2,3-diisocyanoquinoxalin-6-yl)-6-methyl-3-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-2-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-4-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide
PubChem CID157308269
Molecular FormulaC218H96F20N42
Molecular Weight3683.42 g/mol
Exact Mass3680.85
IUPAC Name[2-cyano-6-(4-cyanoquinazolin-2-yl)-7-isocyano-3-(4-isocyanoquinazolin-2-yl)fluoren-9-ylidene]cyanamide;[2-cyano-7-isocyano-3,6-di(isoquinolin-1-yl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dinaphthalen-2-ylfluoren-9-ylidene)cyanamide;[2-(2,3-dicyanoquinoxalin-6-yl)-7-(2,3-diisocyanoquinoxalin-6-yl)-6-methyl-3-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-2-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-4-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide
SMILESCc1cc2c(cc1-c1c(F)c(F)nc(F)c1F)/C(=N\C#N)c1cc(-c3c(F)c(F)nc(F)c3F)c(C(F)(F)F)cc1-2.Cc1cc2c(cc1-c1ccccn1)/C(=N\C#N)c1cc(-c3ccccn3)c(C(F)(F)F)cc1-2.Cc1cc2c(cc1-c1ccncc1)/C(=N\C#N)c1cc(-c3ccncc3)c(C(F)(F)F)cc1-2.[C-]#[N+]c1cc2c(cc1-c1ccc3ccccc3c1)-c1cc(-c3ccc4ccccc4c3)c(C#N)cc1/C2=N/C#N.[C-]#[N+]c1cc2c(cc1-c1nc(C#N)c3ccccc3n1)-c1cc(-c3nc([N+]#[C-])c4ccccc4n3)c(C#N)cc1/C2=N/C#N.[C-]#[N+]c1cc2c(cc1-c1nccc3ccccc13)-c1cc(-c3nccc4ccccc34)c(C#N)cc1/C2=N/C#N.[C-]#[N+]c1nc2ccc(-c3cc4c(cc3C)-c3cc(C(F)(F)F)c(-c5ccc6nc(C#N)c(C#N)nc6c5)cc3/C4=N/C#N)cc2nc1[N+]#[C-]
InChIInChI=1S/C36H13F3N10.C36H18N4.C34H12N10.C34H16N6.C26H7F11N4.2C26H15F3N4/c1-17-8-22-23-13-26(36(37,38)39)21(19-5-6-27-29(10-19)47-32(15-41)31(14-40)46-27)12-25(23)33(45-16-42)24(22)11-20(17)18-4-7-28-30(9-18)49-35(44-3)34(43-2)48-28;1-39-35-19-34-32(18-30(35)27-13-11-23-7-3-5-9-25(23)15-27)31-17-29(28(20-37)16-33(31)36(34)40-21-38)26-12-10-22-6-2-4-8-24(22)14-26;1-38-29-14-25-23(13-26(29)34-41-27-9-5-3-7-19(27)30(16-36)43-34)22-12-21(18(15-35)11-24(22)31(25)40-17-37)33-42-28-10-6-4-8-20(28)32(39-2)44-33;1-37-31-17-29-27(16-30(31)33-24-9-5-3-7-21(24)11-13-39-33)26-15-25(22(18-35)14-28(26)34(29)40-19-36)32-23-8-4-2-6-20(23)10-12-38-32;1-7-2-9-10-5-14(26(35,36)37)13(16-19(29)24(33)41-25(34)20(16)30)4-12(10)21(39-6-38)11(9)3-8(7)15-17(27)22(31)40-23(32)18(15)28;1-15-10-20-21-13-24(26(27,28)29)19(17-4-8-32-9-5-17)12-23(21)25(33-14-30)22(20)11-18(15)16-2-6-31-7-3-16;1-15-10-17-18-13-22(26(27,28)29)21(24-7-3-5-9-32-24)12-20(18)25(33-14-30)19(17)11-16(15)23-6-2-4-8-31-23/h4-13H,1H3;2-19H;3-14H;2-17H;2-5H,1H3;2*2-13H,1H3/b45-33+;40-36-;40-31-;40-34-;39-21+;2*33-25+
InChIKeyBCTAGEQAVRLAFX-CPDBHNEASA-N
XLogP52.74
TPSA628.19 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds14
Heavy Atoms280
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003683.42
LogP ≤ 552.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze [2-cyano-6-(4-cyanoquinazolin-2-yl)-7-isocyano-3-(4-isocyanoquinazolin-2-yl)fluoren-9-ylidene]cyanamide;[2-cyano-7-isocyano-3,6-di(isoquinolin-1-yl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dinaphthalen-2-ylfluoren-9-ylidene)cyanamide;[2-(2,3-dicyanoquinoxalin-6-yl)-7-(2,3-diisocyanoquinoxalin-6-yl)-6-methyl-3-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-2-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-4-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide with MolForge

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Related Compounds

(2-cyano-7-isocyano-3,6-dipyridin-4-ylfluoren-9-ylidene)cyanamide
CID 140942890
[2,7-dipyridin-2-yl-3,6-bis(trifluoromethyl)fluoren-9-ylidene]cyanamide
CID 154028921
[2,7-dicyano-3,6-bis(2,3-dicyanoquinoxalin-6-yl)fluoren-9-ylidene]cyanamide
CID 154028898
4-isocyano-6-pyridin-2-ylbenzene-1,3-dicarbonitrile
CID 168823207
4-isocyano-5-(5-methyl-4-phenyl-2-pyridinyl)benzene-1,2-dicarbonitrile
CID 168821657
4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile;9-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-isocyano-2-[3-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-3-(2-methylphenyl)carbazole
CID 157242392
4-isocyano-5-(4-methyl-5-phenyl-2-pyridinyl)benzene-1,2-dicarbonitrile
CID 168821648
2,3-bis(2,5-dimethyl-4-pyridin-3-ylphenyl)quinoxaline;2,3-bis(2,5-dimethyl-4-pyridin-4-ylphenyl)quinoxaline;2,3-bis(4-pyridin-2-ylnaphthalen-1-yl)quinoxaline;2,3-bis(4-pyridin-3-ylnaphthalen-1-yl)quinoxaline
CID 161175123
1-[4-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline
CID 146185478
6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline;6,7-dinaphthalen-2-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;6,7-dinaphthalen-2-yl-2-phenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;6,7-dinaphthalen-2-yl-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline;2-phenyl-6,7-bis(4-phenylphenyl)-3-(4-pyridin-2-ylphenyl)quinoxaline
CID 159175615
10,11-diisocyano-16,17-bis(trifluoromethyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene-4,5-dicarbonitrile
CID 59650556
2-(5-fluoro-4-isocyano-2-methylphenyl)pyridine
CID 153319439

Frequently Asked Questions

What is the IUPAC name of [2-cyano-6-(4-cyanoquinazolin-2-yl)-7-isocyano-3-(4-isocyanoquinazolin-2-yl)fluoren-9-ylidene]cyanamide;[2-cyano-7-isocyano-3,6-di(isoquinolin-1-yl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dinaphthalen-2-ylfluoren-9-ylidene)cyanamide;[2-(2,3-dicyanoquinoxalin-6-yl)-7-(2,3-diisocyanoquinoxalin-6-yl)-6-methyl-3-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-2-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-4-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide?
The IUPAC name of [2-cyano-6-(4-cyanoquinazolin-2-yl)-7-isocyano-3-(4-isocyanoquinazolin-2-yl)fluoren-9-ylidene]cyanamide;[2-cyano-7-isocyano-3,6-di(isoquinolin-1-yl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dinaphthalen-2-ylfluoren-9-ylidene)cyanamide;[2-(2,3-dicyanoquinoxalin-6-yl)-7-(2,3-diisocyanoquinoxalin-6-yl)-6-methyl-3-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-2-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-4-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide (CID 157308269) is [2-cyano-6-(4-cyanoquinazolin-2-yl)-7-isocyano-3-(4-isocyanoquinazolin-2-yl)fluoren-9-ylidene]cyanamide;[2-cyano-7-isocyano-3,6-di(isoquinolin-1-yl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dinaphthalen-2-ylfluoren-9-ylidene)cyanamide;[2-(2,3-dicyanoquinoxalin-6-yl)-7-(2,3-diisocyanoquinoxalin-6-yl)-6-methyl-3-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-2-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-4-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide.
What is the SMILES notation for [2-cyano-6-(4-cyanoquinazolin-2-yl)-7-isocyano-3-(4-isocyanoquinazolin-2-yl)fluoren-9-ylidene]cyanamide;[2-cyano-7-isocyano-3,6-di(isoquinolin-1-yl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dinaphthalen-2-ylfluoren-9-ylidene)cyanamide;[2-(2,3-dicyanoquinoxalin-6-yl)-7-(2,3-diisocyanoquinoxalin-6-yl)-6-methyl-3-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-2-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-4-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide?
The canonical SMILES for [2-cyano-6-(4-cyanoquinazolin-2-yl)-7-isocyano-3-(4-isocyanoquinazolin-2-yl)fluoren-9-ylidene]cyanamide;[2-cyano-7-isocyano-3,6-di(isoquinolin-1-yl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dinaphthalen-2-ylfluoren-9-ylidene)cyanamide;[2-(2,3-dicyanoquinoxalin-6-yl)-7-(2,3-diisocyanoquinoxalin-6-yl)-6-methyl-3-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-2-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-4-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide is Cc1cc2c(cc1-c1c(F)c(F)nc(F)c1F)/C(=N\C#N)c1cc(-c3c(F)c(F)nc(F)c3F)c(C(F)(F)F)cc1-2.Cc1cc2c(cc1-c1ccccn1)/C(=N\C#N)c1cc(-c3ccccn3)c(C(F)(F)F)cc1-2.Cc1cc2c(cc1-c1ccncc1)/C(=N\C#N)c1cc(-c3ccncc3)c(C(F)(F)F)cc1-2.[C-]#[N+]c1cc2c(cc1-c1ccc3ccccc3c1)-c1cc(-c3ccc4ccccc4c3)c(C#N)cc1/C2=N/C#N.[C-]#[N+]c1cc2c(cc1-c1nc(C#N)c3ccccc3n1)-c1cc(-c3nc([N+]#[C-])c4ccccc4n3)c(C#N)cc1/C2=N/C#N.[C-]#[N+]c1cc2c(cc1-c1nccc3ccccc13)-c1cc(-c3nccc4ccccc34)c(C#N)cc1/C2=N/C#N.[C-]#[N+]c1nc2ccc(-c3cc4c(cc3C)-c3cc(C(F)(F)F)c(-c5ccc6nc(C#N)c(C#N)nc6c5)cc3/C4=N/C#N)cc2nc1[N+]#[C-].
What is the InChIKey of [2-cyano-6-(4-cyanoquinazolin-2-yl)-7-isocyano-3-(4-isocyanoquinazolin-2-yl)fluoren-9-ylidene]cyanamide;[2-cyano-7-isocyano-3,6-di(isoquinolin-1-yl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dinaphthalen-2-ylfluoren-9-ylidene)cyanamide;[2-(2,3-dicyanoquinoxalin-6-yl)-7-(2,3-diisocyanoquinoxalin-6-yl)-6-methyl-3-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-2-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-4-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide?
The InChIKey is BCTAGEQAVRLAFX-CPDBHNEASA-N. The full InChI is InChI=1S/C36H13F3N10.C36H18N4.C34H12N10.C34H16N6.C26H7F11N4.2C26H15F3N4/c1-17-8-22-23-13-26(36(37,38)39)21(19-5-6-27-29(10-19)47-32(15-41)31(14-40)46-27)12-25(23)33(45-16-42)24(22)11-20(17)18-4-7-28-30(9-18)49-35(44-3)34(43-2)48-28;1-39-35-19-34-32(18-30(35)27-13-11-23-7-3-5-9-25(23)15-27)31-17-29(28(20-37)16-33(31)36(34)40-21-38)26-12-10-22-6-2-4-8-24(22)14-26;1-38-29-14-25-23(13-26(29)34-41-27-9-5-3-7-19(27)30(16-36)43-34)22-12-21(18(15-35)11-24(22)31(25)40-17-37)33-42-28-10-6-4-8-20(28)32(39-2)44-33;1-37-31-17-29-27(16-30(31)33-24-9-5-3-7-21(24)11-13-39-33)26-15-25(22(18-35)14-28(26)34(29)40-19-36)32-23-8-4-2-6-20(23)10-12-38-32;1-7-2-9-10-5-14(26(35,36)37)13(16-19(29)24(33)41-25(34)20(16)30)4-12(10)21(39-6-38)11(9)3-8(7)15-17(27)22(31)40-23(32)18(15)28;1-15-10-20-21-13-24(26(27,28)29)19(17-4-8-32-9-5-17)12-23(21)25(33-14-30)22(20)11-18(15)16-2-6-31-7-3-16;1-15-10-17-18-13-22(26(27,28)29)21(24-7-3-5-9-32-24)12-20(18)25(33-14-30)19(17)11-16(15)23-6-2-4-8-31-23/h4-13H,1H3;2-19H;3-14H;2-17H;2-5H,1H3;2*2-13H,1H3/b45-33+;40-36-;40-31-;40-34-;39-21+;2*33-25+.
What are the key properties of [2-cyano-6-(4-cyanoquinazolin-2-yl)-7-isocyano-3-(4-isocyanoquinazolin-2-yl)fluoren-9-ylidene]cyanamide;[2-cyano-7-isocyano-3,6-di(isoquinolin-1-yl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dinaphthalen-2-ylfluoren-9-ylidene)cyanamide;[2-(2,3-dicyanoquinoxalin-6-yl)-7-(2,3-diisocyanoquinoxalin-6-yl)-6-methyl-3-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-2-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-4-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide?
[2-cyano-6-(4-cyanoquinazolin-2-yl)-7-isocyano-3-(4-isocyanoquinazolin-2-yl)fluoren-9-ylidene]cyanamide;[2-cyano-7-isocyano-3,6-di(isoquinolin-1-yl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dinaphthalen-2-ylfluoren-9-ylidene)cyanamide;[2-(2,3-dicyanoquinoxalin-6-yl)-7-(2,3-diisocyanoquinoxalin-6-yl)-6-methyl-3-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-2-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-4-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide has a molecular weight of 3683.42 g/mol, XLogP of 52.74, 14 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyano-6-(4-cyanoquinazolin-2-yl)-7-isocyano-3-(4-isocyanoquinazolin-2-yl)fluoren-9-ylidene]cyanamide;[2-cyano-7-isocyano-3,6-di(isoquinolin-1-yl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dinaphthalen-2-ylfluoren-9-ylidene)cyanamide;[2-(2,3-dicyanoquinoxalin-6-yl)-7-(2,3-diisocyanoquinoxalin-6-yl)-6-methyl-3-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-2-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-4-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide is sourced from PubChem (CID 157308269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).