(2E)-2-[3,6-bis[4-(4-fluorophenyl)phenyl]-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;2-[(9E)-9-[cyano(isocyano)methylidene]-6-(4-isocyanoquinazolin-2-yl)-2-methyl-7-(trifluoromethoxy)fluoren-3-yl]quinazoline-4-carbonitrile;(2E)-2-[3,6-di(isoquinolin-1-yl)-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-dinaphthalen-2-yl-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-di(quinoxalin-2-yl)-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile

C186H95F17N22O5 — CID 161097889

IUPAC(2E)-2-[3,6-bis[4-(4-fluorophenyl)phenyl]-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;2-[(9E)-9-[cyano(isocyano)methylidene]-6-(4-isocyanoquinazolin-2-yl)-2-methyl-7-(trifluoromethoxy)fluoren-3-yl]quinazoline-4-carbonitrile;(2E)-2-[3,6-di(isoquinolin-1-yl)-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-dinaphthalen-2-yl-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-di(quinoxalin-2-yl)-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile
SMILES[C-]#[N+]/C(C#N)=C1\c2cc(C)c(-c3ccc(-c4ccc(F)cc4)cc3)cc2-c2cc(-c3ccc(-c4ccc(F)cc4)cc3)c(OC(F)(F)F)cc21.[C-]#[N+]/C(C#N)=C1\c2cc(C)c(-c3ccc4ccccc4c3)cc2-c2cc(-c3ccc4ccccc4c3)c(OC(F)(F)F)cc21.[C-]#[N+]/C(C#N)=C1\c2cc(C)c(-c3cnc4ccccc4n3)cc2-c2cc(-c3cnc4ccccc4n3)c(OC(F)(F)F)cc21.[C-]#[N+]/C(C#N)=C1\c2cc(C)c(-c3nc(C#N)c4ccccc4n3)cc2-c2cc(-c3nc([N+]#[C-])c4ccccc4n3)c(OC(F)(F)F)cc21.[C-]#[N+]/C(C#N)=C1\c2cc(C)c(-c3nccc4ccccc34)cc2-c2cc(-c3nccc4ccccc34)c(OC(F)(F)F)cc21
InChIInChI=1S/C42H23F5N2O.C38H21F3N2O.C36H15F3N8O.C36H19F3N4O.C34H17F3N6O/c1-24-19-37-35(20-33(24)29-7-3-25(4-8-29)27-11-15-31(43)16-12-27)36-21-34(30-9-5-26(6-10-30)28-13-17-32(44)18-14-28)40(50-42(45,46)47)22-38(36)41(37)39(23-48)49-2;1-22-15-33-31(18-29(22)27-13-11-23-7-3-5-9-25(23)16-27)32-19-30(28-14-12-24-8-4-6-10-26(24)17-28)36(44-38(39,40)41)20-34(32)37(33)35(21-42)43-2;1-18-12-24-22(13-21(18)34-44-27-10-6-4-8-19(27)29(16-40)46-34)23-14-26(35-45-28-11-7-5-9-20(28)33(43-3)47-35)31(48-36(37,38)39)15-25(23)32(24)30(17-41)42-2;1-20-15-28-26(16-25(20)34-23-9-5-3-7-21(23)11-13-42-34)27-17-30(35-24-10-6-4-8-22(24)12-14-43-35)32(44-36(37,38)39)18-29(27)33(28)31(19-40)41-2;1-18-11-22-20(12-19(18)30-16-40-25-7-3-5-9-27(25)42-30)21-13-24(31-17-41-26-8-4-6-10-28(26)43-31)32(44-34(35,36)37)14-23(21)33(22)29(15-38)39-2/h3-22H,1H3;3-20H,1H3;4-15H,1H3;3-18H,1H3;3-14,16-17H,1H3/b41-39+;37-35+;32-30+;33-31+;33-29+
InChIKeyUIAMZIUPJQXGQJ-HKADTCHVSA-N
MW3040.92 g/mol
LogP49.26
Rot. Bonds17

About (2E)-2-[3,6-bis[4-(4-fluorophenyl)phenyl]-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;2-[(9E)-9-[cyano(isocyano)methylidene]-6-(4-isocyanoquinazolin-2-yl)-2-methyl-7-(trifluoromethoxy)fluoren-3-yl]quinazoline-4-carbonitrile;(2E)-2-[3,6-di(isoquinolin-1-yl)-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-dinaphthalen-2-yl-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-di(quinoxalin-2-yl)-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile

(2E)-2-[3,6-bis[4-(4-fluorophenyl)phenyl]-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;2-[(9E)-9-[cyano(isocyano)methylidene]-6-(4-isocyanoquinazolin-2-yl)-2-methyl-7-(trifluoromethoxy)fluoren-3-yl]quinazoline-4-carbonitrile;(2E)-2-[3,6-di(isoquinolin-1-yl)-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-dinaphthalen-2-yl-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-di(quinoxalin-2-yl)-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile (PubChem CID 161097889) has the molecular formula C186H95F17N22O5 and a molecular weight of 3040.92 g/mol. Its IUPAC name is (2E)-2-[3,6-bis[4-(4-fluorophenyl)phenyl]-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;2-[(9E)-9-[cyano(isocyano)methylidene]-6-(4-isocyanoquinazolin-2-yl)-2-methyl-7-(trifluoromethoxy)fluoren-3-yl]quinazoline-4-carbonitrile;(2E)-2-[3,6-di(isoquinolin-1-yl)-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-dinaphthalen-2-yl-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-di(quinoxalin-2-yl)-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile.

Molecular Properties

Compound Name(2E)-2-[3,6-bis[4-(4-fluorophenyl)phenyl]-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;2-[(9E)-9-[cyano(isocyano)methylidene]-6-(4-isocyanoquinazolin-2-yl)-2-methyl-7-(trifluoromethoxy)fluoren-3-yl]quinazoline-4-carbonitrile;(2E)-2-[3,6-di(isoquinolin-1-yl)-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-dinaphthalen-2-yl-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-di(quinoxalin-2-yl)-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile
PubChem CID161097889
Molecular FormulaC186H95F17N22O5
Molecular Weight3040.92 g/mol
Exact Mass3038.76
IUPAC Name(2E)-2-[3,6-bis[4-(4-fluorophenyl)phenyl]-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;2-[(9E)-9-[cyano(isocyano)methylidene]-6-(4-isocyanoquinazolin-2-yl)-2-methyl-7-(trifluoromethoxy)fluoren-3-yl]quinazoline-4-carbonitrile;(2E)-2-[3,6-di(isoquinolin-1-yl)-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-dinaphthalen-2-yl-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-di(quinoxalin-2-yl)-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile
SMILES[C-]#[N+]/C(C#N)=C1\c2cc(C)c(-c3ccc(-c4ccc(F)cc4)cc3)cc2-c2cc(-c3ccc(-c4ccc(F)cc4)cc3)c(OC(F)(F)F)cc21.[C-]#[N+]/C(C#N)=C1\c2cc(C)c(-c3ccc4ccccc4c3)cc2-c2cc(-c3ccc4ccccc4c3)c(OC(F)(F)F)cc21.[C-]#[N+]/C(C#N)=C1\c2cc(C)c(-c3cnc4ccccc4n3)cc2-c2cc(-c3cnc4ccccc4n3)c(OC(F)(F)F)cc21.[C-]#[N+]/C(C#N)=C1\c2cc(C)c(-c3nc(C#N)c4ccccc4n3)cc2-c2cc(-c3nc([N+]#[C-])c4ccccc4n3)c(OC(F)(F)F)cc21.[C-]#[N+]/C(C#N)=C1\c2cc(C)c(-c3nccc4ccccc34)cc2-c2cc(-c3nccc4ccccc34)c(OC(F)(F)F)cc21
InChIInChI=1S/C42H23F5N2O.C38H21F3N2O.C36H15F3N8O.C36H19F3N4O.C34H17F3N6O/c1-24-19-37-35(20-33(24)29-7-3-25(4-8-29)27-11-15-31(43)16-12-27)36-21-34(30-9-5-26(6-10-30)28-13-17-32(44)18-14-28)40(50-42(45,46)47)22-38(36)41(37)39(23-48)49-2;1-22-15-33-31(18-29(22)27-13-11-23-7-3-5-9-25(23)16-27)32-19-30(28-14-12-24-8-4-6-10-26(24)17-28)36(44-38(39,40)41)20-34(32)37(33)35(21-42)43-2;1-18-12-24-22(13-21(18)34-44-27-10-6-4-8-19(27)29(16-40)46-34)23-14-26(35-45-28-11-7-5-9-20(28)33(43-3)47-35)31(48-36(37,38)39)15-25(23)32(24)30(17-41)42-2;1-20-15-28-26(16-25(20)34-23-9-5-3-7-21(23)11-13-42-34)27-17-30(35-24-10-6-4-8-22(24)12-14-43-35)32(44-36(37,38)39)18-29(27)33(28)31(19-40)41-2;1-18-11-22-20(12-19(18)30-16-40-25-7-3-5-9-27(25)42-30)21-13-24(31-17-41-26-8-4-6-10-28(26)43-31)32(44-34(35,36)37)14-23(21)33(22)29(15-38)39-2/h3-22H,1H3;3-20H,1H3;4-15H,1H3;3-18H,1H3;3-14,16-17H,1H3/b41-39+;37-35+;32-30+;33-31+;33-29+
InChIKeyUIAMZIUPJQXGQJ-HKADTCHVSA-N
XLogP49.26
TPSA343.95 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003040.92
LogP ≤ 549.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze (2E)-2-[3,6-bis[4-(4-fluorophenyl)phenyl]-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;2-[(9E)-9-[cyano(isocyano)methylidene]-6-(4-isocyanoquinazolin-2-yl)-2-methyl-7-(trifluoromethoxy)fluoren-3-yl]quinazoline-4-carbonitrile;(2E)-2-[3,6-di(isoquinolin-1-yl)-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-dinaphthalen-2-yl-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-di(quinoxalin-2-yl)-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile with MolForge

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Related Compounds

(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-(4-cyano-2,3,5,6-tetrafluorophenyl)-5-isocyano-6-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-s-indacene-1-carbonitrile;(3Z,7E)-3,7-bis[cyano(isocyano)methylidene]-4,8-difluoro-5-isocyano-2,6-diphenyl-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-5-isocyano-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile;(3Z,7Z)-3,7-bis[cyano(isocyano)methylidene]-5-isocyano-2,6-diphenyl-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,7Z)-3,7-bis[cyano(isocyano)methylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-5-isocyano-2,6-dipyridin-2-yl-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-5-isocyano-2,6-di(pyrimidin-2-yl)-s-indacene-1-carbonitrile
CID 157367207
2-[9,9-Difluoro-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-(9,9-difluoro-7-triphenylen-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoline;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoxaline
CID 157382054
2-(3,5-Diphenylphenyl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[3'-[2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine;2,4-diphenyl-6-[2-[4-phenyl-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1,3,5-triazine;4-[2-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]-2,6-diphenylpyrimidine;2-[3'-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-methylphenyl)-5'-phenylspiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;4-[3-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylspiro[fluorene-9,9'-xanthene]-3'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 157570481
(2E)-2-[3,6-bis[4-(4-fluorophenyl)phenyl]-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;2-[(9E)-9-[cyano(isocyano)methylidene]-6-(4-isocyanoquinazolin-2-yl)-2-methyl-7-(trifluoromethoxy)fluoren-3-yl]quinazoline-4-carbonitrile;(2E)-2-[3,6-di(isoquinolin-1-yl)-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-dinaphthalen-2-yl-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile;2-isocyano-2-[2-methyl-3,6-di(quinazolin-2-yl)-7-(trifluoromethoxy)-9H-fluoren-9-yl]acetonitrile
CID 157927826
9-(4-methylphenyl)-9-phenyl-N,N-bis(4-phenylphenyl)-7-pyridin-3-ylfluoren-4-amine;9-(4-methylphenyl)-9-phenyl-N,N-bis(4-phenylphenyl)-7-pyrimidin-5-ylfluoren-4-amine;9-methyl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine;9-naphthalen-1-yl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine;9-phenyl-N,N-bis(4-phenylphenyl)-9-[3-(2-phenylpyrimidin-4-yl)phenyl]fluoren-4-amine;9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9-[4-(trifluoromethoxy)phenyl]fluoren-3-amine
CID 158384592
(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1,7-dicarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-4,8-difluoro-2,6-diphenyl-s-indacene-1,7-dicarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2,6-diphenyl-4,8-bis(trifluoromethyl)-s-indacene-1,7-dicarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2,6-diphenyl-s-indacene-1,4,7,8-tetracarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2,6-dipyridin-2-yl-s-indacene-1,7-dicarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2,6-di(pyrimidin-2-yl)-s-indacene-1,7-dicarbonitrile
CID 158417154
(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;(3Z,5E)-3,5-bis[cyano(isocyano)methylidene]-4,8-difluoro-7-isocyano-2,6-diphenyl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile;(3Z,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(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-2,6-di(pyrimidin-2-yl)-s-indacene-1-carbonitrile
CID 159038981
(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-(4-cyano-2,3,5,6-tetrafluorophenyl)-5-isocyano-6-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-s-indacene-1-carbonitrile;(3Z,7E)-3,7-bis[cyano(isocyano)methylidene]-4,8-difluoro-5-isocyano-2,6-diphenyl-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-5-isocyano-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-5-isocyano-2,6-dipyridin-2-yl-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-5-isocyano-2,6-di(pyrimidin-2-yl)-s-indacene-1-carbonitrile
CID 159100503
2'-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-fluoranthen-8-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;5-phenyl-2-spiro[fluorene-9,9'-xanthene]-2'-ylquinoxaline;9-[4-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-spiro[fluorene-9,9'-xanthene]-2'-ylquinoxaline
CID 159450050
(3Z,7E)-3,7-bis[cyano(isocyano)methylidene]-4,8-difluoro-5-isocyano-2,6-diphenyl-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-5-isocyano-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile;(3Z,7Z)-3,7-bis[cyano(isocyano)methylidene]-5-isocyano-2,6-diphenyl-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,7Z)-3,7-bis[cyano(isocyano)methylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-5-isocyano-2,6-dipyridin-2-yl-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-5-isocyano-2,6-di(pyrimidin-2-yl)-s-indacene-1-carbonitrile
CID 159755597
(3E,7E)-7-[cyano-(3,5-dicyanophenyl)methylidene]-2-(3,4-dicyanophenyl)-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-6-(3,4-diisocyanophenyl)-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-dipyridin-2-yl-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-di(pyrimidin-2-yl)-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2-(4-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]-s-indacene-1,5-dicarbonitrile
CID 159922912
6-[9-[cyano(isocyano)methyl]-6-(2,3-diisocyanoquinoxalin-6-yl)-7-methyl-2-(trifluoromethoxy)-9H-fluoren-3-yl]quinoxaline-2,3-dicarbonitrile;2-isocyanoacetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-dipyridin-2-yl-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile;4-[2-methyl-6-pyridin-4-yl-7-(trifluoromethoxy)-9H-fluoren-3-yl]pyridine
CID 160271720

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[3,6-bis[4-(4-fluorophenyl)phenyl]-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;2-[(9E)-9-[cyano(isocyano)methylidene]-6-(4-isocyanoquinazolin-2-yl)-2-methyl-7-(trifluoromethoxy)fluoren-3-yl]quinazoline-4-carbonitrile;(2E)-2-[3,6-di(isoquinolin-1-yl)-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-dinaphthalen-2-yl-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-di(quinoxalin-2-yl)-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile?
The IUPAC name of (2E)-2-[3,6-bis[4-(4-fluorophenyl)phenyl]-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;2-[(9E)-9-[cyano(isocyano)methylidene]-6-(4-isocyanoquinazolin-2-yl)-2-methyl-7-(trifluoromethoxy)fluoren-3-yl]quinazoline-4-carbonitrile;(2E)-2-[3,6-di(isoquinolin-1-yl)-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-dinaphthalen-2-yl-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-di(quinoxalin-2-yl)-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile (CID 161097889) is (2E)-2-[3,6-bis[4-(4-fluorophenyl)phenyl]-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;2-[(9E)-9-[cyano(isocyano)methylidene]-6-(4-isocyanoquinazolin-2-yl)-2-methyl-7-(trifluoromethoxy)fluoren-3-yl]quinazoline-4-carbonitrile;(2E)-2-[3,6-di(isoquinolin-1-yl)-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-dinaphthalen-2-yl-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-di(quinoxalin-2-yl)-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile.
What is the SMILES notation for (2E)-2-[3,6-bis[4-(4-fluorophenyl)phenyl]-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;2-[(9E)-9-[cyano(isocyano)methylidene]-6-(4-isocyanoquinazolin-2-yl)-2-methyl-7-(trifluoromethoxy)fluoren-3-yl]quinazoline-4-carbonitrile;(2E)-2-[3,6-di(isoquinolin-1-yl)-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-dinaphthalen-2-yl-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-di(quinoxalin-2-yl)-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile?
The canonical SMILES for (2E)-2-[3,6-bis[4-(4-fluorophenyl)phenyl]-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;2-[(9E)-9-[cyano(isocyano)methylidene]-6-(4-isocyanoquinazolin-2-yl)-2-methyl-7-(trifluoromethoxy)fluoren-3-yl]quinazoline-4-carbonitrile;(2E)-2-[3,6-di(isoquinolin-1-yl)-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-dinaphthalen-2-yl-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-di(quinoxalin-2-yl)-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile is [C-]#[N+]/C(C#N)=C1\c2cc(C)c(-c3ccc(-c4ccc(F)cc4)cc3)cc2-c2cc(-c3ccc(-c4ccc(F)cc4)cc3)c(OC(F)(F)F)cc21.[C-]#[N+]/C(C#N)=C1\c2cc(C)c(-c3ccc4ccccc4c3)cc2-c2cc(-c3ccc4ccccc4c3)c(OC(F)(F)F)cc21.[C-]#[N+]/C(C#N)=C1\c2cc(C)c(-c3cnc4ccccc4n3)cc2-c2cc(-c3cnc4ccccc4n3)c(OC(F)(F)F)cc21.[C-]#[N+]/C(C#N)=C1\c2cc(C)c(-c3nc(C#N)c4ccccc4n3)cc2-c2cc(-c3nc([N+]#[C-])c4ccccc4n3)c(OC(F)(F)F)cc21.[C-]#[N+]/C(C#N)=C1\c2cc(C)c(-c3nccc4ccccc34)cc2-c2cc(-c3nccc4ccccc34)c(OC(F)(F)F)cc21.
What is the InChIKey of (2E)-2-[3,6-bis[4-(4-fluorophenyl)phenyl]-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;2-[(9E)-9-[cyano(isocyano)methylidene]-6-(4-isocyanoquinazolin-2-yl)-2-methyl-7-(trifluoromethoxy)fluoren-3-yl]quinazoline-4-carbonitrile;(2E)-2-[3,6-di(isoquinolin-1-yl)-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-dinaphthalen-2-yl-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-di(quinoxalin-2-yl)-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile?
The InChIKey is UIAMZIUPJQXGQJ-HKADTCHVSA-N. The full InChI is InChI=1S/C42H23F5N2O.C38H21F3N2O.C36H15F3N8O.C36H19F3N4O.C34H17F3N6O/c1-24-19-37-35(20-33(24)29-7-3-25(4-8-29)27-11-15-31(43)16-12-27)36-21-34(30-9-5-26(6-10-30)28-13-17-32(44)18-14-28)40(50-42(45,46)47)22-38(36)41(37)39(23-48)49-2;1-22-15-33-31(18-29(22)27-13-11-23-7-3-5-9-25(23)16-27)32-19-30(28-14-12-24-8-4-6-10-26(24)17-28)36(44-38(39,40)41)20-34(32)37(33)35(21-42)43-2;1-18-12-24-22(13-21(18)34-44-27-10-6-4-8-19(27)29(16-40)46-34)23-14-26(35-45-28-11-7-5-9-20(28)33(43-3)47-35)31(48-36(37,38)39)15-25(23)32(24)30(17-41)42-2;1-20-15-28-26(16-25(20)34-23-9-5-3-7-21(23)11-13-42-34)27-17-30(35-24-10-6-4-8-22(24)12-14-43-35)32(44-36(37,38)39)18-29(27)33(28)31(19-40)41-2;1-18-11-22-20(12-19(18)30-16-40-25-7-3-5-9-27(25)42-30)21-13-24(31-17-41-26-8-4-6-10-28(26)43-31)32(44-34(35,36)37)14-23(21)33(22)29(15-38)39-2/h3-22H,1H3;3-20H,1H3;4-15H,1H3;3-18H,1H3;3-14,16-17H,1H3/b41-39+;37-35+;32-30+;33-31+;33-29+.
What are the key properties of (2E)-2-[3,6-bis[4-(4-fluorophenyl)phenyl]-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;2-[(9E)-9-[cyano(isocyano)methylidene]-6-(4-isocyanoquinazolin-2-yl)-2-methyl-7-(trifluoromethoxy)fluoren-3-yl]quinazoline-4-carbonitrile;(2E)-2-[3,6-di(isoquinolin-1-yl)-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-dinaphthalen-2-yl-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-di(quinoxalin-2-yl)-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile?
(2E)-2-[3,6-bis[4-(4-fluorophenyl)phenyl]-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;2-[(9E)-9-[cyano(isocyano)methylidene]-6-(4-isocyanoquinazolin-2-yl)-2-methyl-7-(trifluoromethoxy)fluoren-3-yl]quinazoline-4-carbonitrile;(2E)-2-[3,6-di(isoquinolin-1-yl)-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-dinaphthalen-2-yl-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-di(quinoxalin-2-yl)-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile has a molecular weight of 3040.92 g/mol, XLogP of 49.26, 17 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[3,6-bis[4-(4-fluorophenyl)phenyl]-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;2-[(9E)-9-[cyano(isocyano)methylidene]-6-(4-isocyanoquinazolin-2-yl)-2-methyl-7-(trifluoromethoxy)fluoren-3-yl]quinazoline-4-carbonitrile;(2E)-2-[3,6-di(isoquinolin-1-yl)-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-dinaphthalen-2-yl-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-di(quinoxalin-2-yl)-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile is sourced from PubChem (CID 161097889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).