(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

C184H63F3N42O — CID 159922912

About (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

(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 (PubChem CID 159922912) has the molecular formula C184H63F3N42O and a molecular weight of 2934.81 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 159922912
• Molecular Formula: C184H63F3N42O
• Molecular Weight: 2934.81 g/mol
• Exact Mass: 2932.61
• IUPAC Name: (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
• SMILES: [C-]#[N+]/C(=C1/C(c2ccc(C#N)c(C#N)c2)=C(C#N)c2cc3c(cc21)C(C#N)=C(c1ccc([N+]#[C-])c([N+]#[C-])c1)/C3=C(/C#N)c1cc(C#N)cc(C#N)c1)c1cc(C#N)cc(C#N)c1.[C-]#[N+]/C(=C1/C(c2ccc(OC(F)(F)F)cc2)=C(C#N)c2cc3c(cc21)C(C#N)=C(c1ccc(C)cc1)/C3=C(/C#N)c1cc(C#N)cc(C#N)c1)c1cc(C#N)cc(C#N)c1.[C-]#[N+]/C(=C1/C(c2ccccn2)=C(C#N)c2cc3c(cc21)C(C#N)=C(c1ccccn1)/C3=C(/C#N)c1cc(C#N)cc(C#N)c1)c1cc(C#N)cc(C#N)c1.[C-]#[N+]/C(=C1/C(c2ncccn2)=C(C#N)c2cc3c(cc21)C(C#N)=C(c1ncccn1)/C3=C(/C#N)c1cc(C#N)cc(C#N)c1)c1cc(C#N)cc(C#N)c1
• InChI: InChI=1S/C50H14N12.C48H19F3N8O.C44H16N10.C42H14N12/c1-60-44-7-6-32(15-45(44)61-2)46-42(25-58)37-17-40-38(16-39(37)48(46)41(24-57)34-10-27(18-51)8-28(11-34)19-52)43(26-59)47(31-4-5-33(22-55)36(14-31)23-56)49(40)50(62-3)35-12-29(20-53)9-30(13-35)21-54;1-26-3-5-31(6-4-26)43-41(24-57)36-18-39-37(17-38(36)45(43)40(23-56)33-13-27(19-52)11-28(14-33)20-53)42(25-58)44(32-7-9-35(10-8-32)60-48(49,50)51)46(39)47(59-2)34-15-29(21-54)12-30(16-34)22-55;1-52-44(30-14-27(20-47)11-28(15-30)21-48)43-34-17-31-33(16-32(34)37(24-51)42(43)39-7-3-5-9-54-39)40(41(36(31)23-50)38-6-2-4-8-53-38)35(22-49)29-12-25(18-45)10-26(13-29)19-46;1-50-40(28-12-25(18-45)9-26(13-28)19-46)37-32-15-29-31(14-30(32)35(22-49)39(37)42-53-6-3-7-54-42)36(38(34(29)21-48)41-51-4-2-5-52-41)33(20-47)27-10-23(16-43)8-24(11-27)17-44/h4-17H;3-18H,1H3;2-17H;2-15H/b48-41-,50-49+;45-40-,47-46+;40-35-,44-43+;36-33-,40-37+
• InChIKey: NYQICIIFWUJBEG-IEMBHQFJSA-N
• XLogP: 35.59
• TPSA: 826.43 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 17
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2934.81
LogP ≤ 5	35.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is [C-]#[N+]/C(=C1/C(c2ccc(C#N)c(C#N)c2)=C(C#N)c2cc3c(cc21)C(C#N)=C(c1ccc([N+]#[C-])c([N+]#[C-])c1)/C3=C(/C#N)c1cc(C#N)cc(C#N)c1)c1cc(C#N)cc(C#N)c1.[C-]#[N+]/C(=C1/C(c2ccc(OC(F)(F)F)cc2)=C(C#N)c2cc3c(cc21)C(C#N)=C(c1ccc(C)cc1)/C3=C(/C#N)c1cc(C#N)cc(C#N)c1)c1cc(C#N)cc(C#N)c1.[C-]#[N+]/C(=C1/C(c2ccccn2)=C(C#N)c2cc3c(cc21)C(C#N)=C(c1ccccn1)/C3=C(/C#N)c1cc(C#N)cc(C#N)c1)c1cc(C#N)cc(C#N)c1.[C-]#[N+]/C(=C1/C(c2ncccn2)=C(C#N)c2cc3c(cc21)C(C#N)=C(c1ncccn1)/C3=C(/C#N)c1cc(C#N)cc(C#N)c1)c1cc(C#N)cc(C#N)c1.

What is the InChIKey of (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?

The InChIKey is NYQICIIFWUJBEG-IEMBHQFJSA-N. The full InChI is InChI=1S/C50H14N12.C48H19F3N8O.C44H16N10.C42H14N12/c1-60-44-7-6-32(15-45(44)61-2)46-42(25-58)37-17-40-38(16-39(37)48(46)41(24-57)34-10-27(18-51)8-28(11-34)19-52)43(26-59)47(31-4-5-33(22-55)36(14-31)23-56)49(40)50(62-3)35-12-29(20-53)9-30(13-35)21-54;1-26-3-5-31(6-4-26)43-41(24-57)36-18-39-37(17-38(36)45(43)40(23-56)33-13-27(19-52)11-28(14-33)20-53)42(25-58)44(32-7-9-35(10-8-32)60-48(49,50)51)46(39)47(59-2)34-15-29(21-54)12-30(16-34)22-55;1-52-44(30-14-27(20-47)11-28(15-30)21-48)43-34-17-31-33(16-32(34)37(24-51)42(43)39-7-3-5-9-54-39)40(41(36(31)23-50)38-6-2-4-8-53-38)35(22-49)29-12-25(18-45)10-26(13-29)19-46;1-50-40(28-12-25(18-45)9-26(13-28)19-46)37-32-15-29-31(14-30(32)35(22-49)39(37)42-53-6-3-7-54-42)36(38(34(29)21-48)41-51-4-2-5-52-41)33(20-47)27-10-23(16-43)8-24(11-27)17-44/h4-17H;3-18H,1H3;2-17H;2-15H/b48-41-,50-49+;45-40-,47-46+;40-35-,44-43+;36-33-,40-37+.

What are the key properties of (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?

(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 has a molecular weight of 2934.81 g/mol, XLogP of 35.59, 17 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 159922912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).