(3Z,7Z)-3,7-bis[(4-cyano-2,3,5,6-tetrafluorophenyl)-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,4-diisocyanophenyl)methylidene]-3-[(3,4-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,5-diisocyanophenyl)methylidene]-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(4-isocyanophenyl)methylidene]-3-[(4-cyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile

C200H60F16N36 — CID 159334904

IUPAC(3Z,7Z)-3,7-bis[(4-cyano-2,3,5,6-tetrafluorophenyl)-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,4-diisocyanophenyl)methylidene]-3-[(3,4-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,5-diisocyanophenyl)methylidene]-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(4-isocyanophenyl)methylidene]-3-[(4-cyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile
SMILES[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)c2cc([N+]#[C-])cc([N+]#[C-])c2)c2c(C#N)c3c(c(C#N)c21)/C(=C(\[N+]#[C-])c1cc(C#N)cc(C#N)c1)C(c1ccccc1)=C3C#N.[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)c2ccc([N+]#[C-])c([N+]#[C-])c2)c2c(C#N)c3c(c(C#N)c21)/C(=C(\[N+]#[C-])c1ccc(C#N)c(C#N)c1)C(c1ccccc1)=C3C#N.[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)c2ccc([N+]#[C-])cc2)c2c(C#N)c3c(c(C#N)c21)/C(=C(\[N+]#[C-])c1ccc(C#N)cc1)C(c1ccccc1)=C3C#N.[C-]#[N+]C1=C(c2ccccc2)/C(=C(/c2c(F)c(F)c(C#N)c(F)c2F)c2c(F)c(F)c([N+]#[C-])c(F)c2F)c2c(C#N)c3c(c(C#N)c21)/C(=C(/c1c(F)c(F)c(C#N)c(F)c1F)c1c(F)c(F)c([N+]#[C-])c(F)c1F)C(c1ccccc1)=C3C#N
InChIInChI=1S/C58H10F16N8.2C48H16N10.C46H18N8/c1-80-56-27(20-12-8-5-9-13-20)33(35(37-46(65)42(61)25(18-79)43(62)47(37)66)39-50(69)54(73)58(82-3)55(74)51(39)70)30-22(15-76)28-21(14-75)26(19-10-6-4-7-11-19)32(29(28)23(16-77)31(30)56)34(36-44(63)40(59)24(17-78)41(60)45(36)64)38-48(67)52(71)57(81-2)53(72)49(38)68;1-55-33-18-31(19-34(20-33)56-2)35(23-51)42-40(30-13-9-6-10-14-30)48(58-4)45-38(26-54)43-41(37(25-53)44(42)45)36(24-52)39(29-11-7-5-8-12-29)46(43)47(57-3)32-16-27(21-49)15-28(17-32)22-50;1-55-37-18-17-29(20-38(37)56-2)33(23-51)42-40(28-13-9-6-10-14-28)48(58-4)45-36(26-54)43-41(35(25-53)44(42)45)34(24-52)39(27-11-7-5-8-12-27)46(43)47(57-3)30-15-16-31(21-49)32(19-30)22-50;1-52-32-20-18-28(19-21-32)33(23-48)40-38(30-12-8-5-9-13-30)46(54-3)43-36(26-51)41-39(35(25-50)42(40)43)34(24-49)37(29-10-6-4-7-11-29)44(41)45(53-2)31-16-14-27(22-47)15-17-31/h4-13H;2*5-20H;4-21H/b34-32-,35-33+;42-35+,47-46-;42-33+,47-46-;40-33+,45-44-
InChIKeyLFKHBNBRBXNPTI-FYYXLSIUSA-N
MW3270.90 g/mol
LogP47.48
Rot. Bonds18

About (3Z,7Z)-3,7-bis[(4-cyano-2,3,5,6-tetrafluorophenyl)-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,4-diisocyanophenyl)methylidene]-3-[(3,4-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,5-diisocyanophenyl)methylidene]-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(4-isocyanophenyl)methylidene]-3-[(4-cyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile

(3Z,7Z)-3,7-bis[(4-cyano-2,3,5,6-tetrafluorophenyl)-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,4-diisocyanophenyl)methylidene]-3-[(3,4-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,5-diisocyanophenyl)methylidene]-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(4-isocyanophenyl)methylidene]-3-[(4-cyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile (PubChem CID 159334904) has the molecular formula C200H60F16N36 and a molecular weight of 3270.90 g/mol. Its IUPAC name is (3Z,7Z)-3,7-bis[(4-cyano-2,3,5,6-tetrafluorophenyl)-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,4-diisocyanophenyl)methylidene]-3-[(3,4-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,5-diisocyanophenyl)methylidene]-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(4-isocyanophenyl)methylidene]-3-[(4-cyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile.

Molecular Properties

Compound Name(3Z,7Z)-3,7-bis[(4-cyano-2,3,5,6-tetrafluorophenyl)-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,4-diisocyanophenyl)methylidene]-3-[(3,4-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,5-diisocyanophenyl)methylidene]-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(4-isocyanophenyl)methylidene]-3-[(4-cyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile
PubChem CID159334904
Molecular FormulaC200H60F16N36
Molecular Weight3270.90 g/mol
Exact Mass3268.55
IUPAC Name(3Z,7Z)-3,7-bis[(4-cyano-2,3,5,6-tetrafluorophenyl)-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,4-diisocyanophenyl)methylidene]-3-[(3,4-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,5-diisocyanophenyl)methylidene]-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(4-isocyanophenyl)methylidene]-3-[(4-cyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile
SMILES[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)c2cc([N+]#[C-])cc([N+]#[C-])c2)c2c(C#N)c3c(c(C#N)c21)/C(=C(\[N+]#[C-])c1cc(C#N)cc(C#N)c1)C(c1ccccc1)=C3C#N.[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)c2ccc([N+]#[C-])c([N+]#[C-])c2)c2c(C#N)c3c(c(C#N)c21)/C(=C(\[N+]#[C-])c1ccc(C#N)c(C#N)c1)C(c1ccccc1)=C3C#N.[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)c2ccc([N+]#[C-])cc2)c2c(C#N)c3c(c(C#N)c21)/C(=C(\[N+]#[C-])c1ccc(C#N)cc1)C(c1ccccc1)=C3C#N.[C-]#[N+]C1=C(c2ccccc2)/C(=C(/c2c(F)c(F)c(C#N)c(F)c2F)c2c(F)c(F)c([N+]#[C-])c(F)c2F)c2c(C#N)c3c(c(C#N)c21)/C(=C(/c1c(F)c(F)c(C#N)c(F)c1F)c1c(F)c(F)c([N+]#[C-])c(F)c1F)C(c1ccccc1)=C3C#N
InChIInChI=1S/C58H10F16N8.2C48H16N10.C46H18N8/c1-80-56-27(20-12-8-5-9-13-20)33(35(37-46(65)42(61)25(18-79)43(62)47(37)66)39-50(69)54(73)58(82-3)55(74)51(39)70)30-22(15-76)28-21(14-75)26(19-10-6-4-7-11-19)32(29(28)23(16-77)31(30)56)34(36-44(63)40(59)24(17-78)41(60)45(36)64)38-48(67)52(71)57(81-2)53(72)49(38)68;1-55-33-18-31(19-34(20-33)56-2)35(23-51)42-40(30-13-9-6-10-14-30)48(58-4)45-38(26-54)43-41(37(25-53)44(42)45)36(24-52)39(29-11-7-5-8-12-29)46(43)47(57-3)32-16-27(21-49)15-28(17-32)22-50;1-55-37-18-17-29(20-38(37)56-2)33(23-51)42-40(28-13-9-6-10-14-28)48(58-4)45-36(26-54)43-41(35(25-53)44(42)45)34(24-52)39(27-11-7-5-8-12-27)46(43)47(57-3)30-15-16-31(21-49)32(19-30)22-50;1-52-32-20-18-28(19-21-32)33(23-48)40-38(30-12-8-5-9-13-30)46(54-3)43-36(26-51)41-39(35(25-50)42(40)43)34(24-49)37(29-10-6-4-7-11-29)44(41)45(53-2)31-16-14-27(22-47)15-17-31/h4-13H;2*5-20H;4-21H/b34-32-,35-33+;42-35+,47-46-;42-33+,47-46-;40-33+,45-44-
InChIKeyLFKHBNBRBXNPTI-FYYXLSIUSA-N
XLogP47.48
TPSA584.42 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003270.90
LogP ≤ 547.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze (3Z,7Z)-3,7-bis[(4-cyano-2,3,5,6-tetrafluorophenyl)-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,4-diisocyanophenyl)methylidene]-3-[(3,4-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,5-diisocyanophenyl)methylidene]-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(4-isocyanophenyl)methylidene]-3-[(4-cyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile with MolForge

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Related Compounds

(3Z,7E)-7-[cyano-(4-isocyanophenyl)methylidene]-3-[(4-cyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile
CID 153489523
4-[(E)-[(5E)-3-cyano-5-[cyano-(3,4-diisocyanophenyl)methylidene]-2-(4-cyanophenyl)-7-isocyano-6-(4-isocyanophenyl)-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,2-dicarbonitrile
CID 153492804
5-[(E)-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-2,6-bis(4-fluorophenyl)-5-isocyano-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-2-(4-cyanophenyl)-5-isocyano-6-(4-isocyanophenyl)-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;4-[(3E,5E)-1-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-6-(3,4-diisocyanophenyl)-7-isocyano-s-indacen-2-yl]benzene-1,2-dicarbonitrile;5-[(E)-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-5-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-5-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile
CID 165054826
5-[(E)-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile
CID 153492806
(3Z,7E)-7-[cyano-(2,3,5,6-tetrafluoro-4-pyridinyl)methylidene]-5-isocyano-3-[isocyano-(2,3,5,6-tetrafluoro-4-pyridinyl)methylidene]-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile
CID 153489484
(3E,7E)-2-(4-cyanophenyl)-7-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]-5-isocyano-6-(4-isocyanophenyl)-s-indacene-1-carbonitrile
CID 153492810
5-[(E)-cyano-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]methyl]benzene-1,3-dicarbonitrile
CID 153492814
5-[(E)-cyano-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-5-isocyano-2,6-diphenyl-s-indacen-1-ylidene]methyl]benzene-1,3-dicarbonitrile;5-[(E)-cyano-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-fluorophenyl)-5-isocyano-2,6-diphenyl-s-indacen-1-ylidene]methyl]benzene-1,3-dicarbonitrile;5-[(E)-cyano-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-2,6-difluoro-5-isocyano-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]methyl]benzene-1,3-dicarbonitrile
CID 160556782
(3E,7E)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-7-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-4,8-difluoro-5-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile
CID 159426763
5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-2,6-difluoro-7-isocyano-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(Z)-[(5Z)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis(trifluoromethoxy)-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(Z)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis(trifluoromethyl)-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;(3E,7E)-7-[cyano-(3,5-diisocyanophenyl)methylidene]-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-5,6-diisocyano-s-indacene-1,2-dicarbonitrile
CID 158632898
(3Z,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile
CID 153489519
5-[(E)-cyano-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-2,6-bis(4-fluorophenyl)-7-isocyano-s-indacen-1-ylidene]methyl]benzene-1,3-dicarbonitrile
CID 170527159

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-3,7-bis[(4-cyano-2,3,5,6-tetrafluorophenyl)-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,4-diisocyanophenyl)methylidene]-3-[(3,4-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,5-diisocyanophenyl)methylidene]-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(4-isocyanophenyl)methylidene]-3-[(4-cyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile?
The IUPAC name of (3Z,7Z)-3,7-bis[(4-cyano-2,3,5,6-tetrafluorophenyl)-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,4-diisocyanophenyl)methylidene]-3-[(3,4-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,5-diisocyanophenyl)methylidene]-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(4-isocyanophenyl)methylidene]-3-[(4-cyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile (CID 159334904) is (3Z,7Z)-3,7-bis[(4-cyano-2,3,5,6-tetrafluorophenyl)-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,4-diisocyanophenyl)methylidene]-3-[(3,4-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,5-diisocyanophenyl)methylidene]-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(4-isocyanophenyl)methylidene]-3-[(4-cyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile.
What is the SMILES notation for (3Z,7Z)-3,7-bis[(4-cyano-2,3,5,6-tetrafluorophenyl)-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,4-diisocyanophenyl)methylidene]-3-[(3,4-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,5-diisocyanophenyl)methylidene]-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(4-isocyanophenyl)methylidene]-3-[(4-cyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile?
The canonical SMILES for (3Z,7Z)-3,7-bis[(4-cyano-2,3,5,6-tetrafluorophenyl)-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,4-diisocyanophenyl)methylidene]-3-[(3,4-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,5-diisocyanophenyl)methylidene]-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(4-isocyanophenyl)methylidene]-3-[(4-cyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile is [C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)c2cc([N+]#[C-])cc([N+]#[C-])c2)c2c(C#N)c3c(c(C#N)c21)/C(=C(\[N+]#[C-])c1cc(C#N)cc(C#N)c1)C(c1ccccc1)=C3C#N.[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)c2ccc([N+]#[C-])c([N+]#[C-])c2)c2c(C#N)c3c(c(C#N)c21)/C(=C(\[N+]#[C-])c1ccc(C#N)c(C#N)c1)C(c1ccccc1)=C3C#N.[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)c2ccc([N+]#[C-])cc2)c2c(C#N)c3c(c(C#N)c21)/C(=C(\[N+]#[C-])c1ccc(C#N)cc1)C(c1ccccc1)=C3C#N.[C-]#[N+]C1=C(c2ccccc2)/C(=C(/c2c(F)c(F)c(C#N)c(F)c2F)c2c(F)c(F)c([N+]#[C-])c(F)c2F)c2c(C#N)c3c(c(C#N)c21)/C(=C(/c1c(F)c(F)c(C#N)c(F)c1F)c1c(F)c(F)c([N+]#[C-])c(F)c1F)C(c1ccccc1)=C3C#N.
What is the InChIKey of (3Z,7Z)-3,7-bis[(4-cyano-2,3,5,6-tetrafluorophenyl)-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,4-diisocyanophenyl)methylidene]-3-[(3,4-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,5-diisocyanophenyl)methylidene]-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(4-isocyanophenyl)methylidene]-3-[(4-cyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile?
The InChIKey is LFKHBNBRBXNPTI-FYYXLSIUSA-N. The full InChI is InChI=1S/C58H10F16N8.2C48H16N10.C46H18N8/c1-80-56-27(20-12-8-5-9-13-20)33(35(37-46(65)42(61)25(18-79)43(62)47(37)66)39-50(69)54(73)58(82-3)55(74)51(39)70)30-22(15-76)28-21(14-75)26(19-10-6-4-7-11-19)32(29(28)23(16-77)31(30)56)34(36-44(63)40(59)24(17-78)41(60)45(36)64)38-48(67)52(71)57(81-2)53(72)49(38)68;1-55-33-18-31(19-34(20-33)56-2)35(23-51)42-40(30-13-9-6-10-14-30)48(58-4)45-38(26-54)43-41(37(25-53)44(42)45)36(24-52)39(29-11-7-5-8-12-29)46(43)47(57-3)32-16-27(21-49)15-28(17-32)22-50;1-55-37-18-17-29(20-38(37)56-2)33(23-51)42-40(28-13-9-6-10-14-28)48(58-4)45-36(26-54)43-41(35(25-53)44(42)45)34(24-52)39(27-11-7-5-8-12-27)46(43)47(57-3)30-15-16-31(21-49)32(19-30)22-50;1-52-32-20-18-28(19-21-32)33(23-48)40-38(30-12-8-5-9-13-30)46(54-3)43-36(26-51)41-39(35(25-50)42(40)43)34(24-49)37(29-10-6-4-7-11-29)44(41)45(53-2)31-16-14-27(22-47)15-17-31/h4-13H;2*5-20H;4-21H/b34-32-,35-33+;42-35+,47-46-;42-33+,47-46-;40-33+,45-44-.
What are the key properties of (3Z,7Z)-3,7-bis[(4-cyano-2,3,5,6-tetrafluorophenyl)-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,4-diisocyanophenyl)methylidene]-3-[(3,4-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,5-diisocyanophenyl)methylidene]-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(4-isocyanophenyl)methylidene]-3-[(4-cyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile?
(3Z,7Z)-3,7-bis[(4-cyano-2,3,5,6-tetrafluorophenyl)-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,4-diisocyanophenyl)methylidene]-3-[(3,4-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,5-diisocyanophenyl)methylidene]-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(4-isocyanophenyl)methylidene]-3-[(4-cyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile has a molecular weight of 3270.90 g/mol, XLogP of 47.48, 18 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-3,7-bis[(4-cyano-2,3,5,6-tetrafluorophenyl)-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,4-diisocyanophenyl)methylidene]-3-[(3,4-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(3,5-diisocyanophenyl)methylidene]-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3Z,7E)-7-[cyano-(4-isocyanophenyl)methylidene]-3-[(4-cyanophenyl)-isocyanomethylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile is sourced from PubChem (CID 159334904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).