(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-dipyridin-2-yl-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2-(4-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacene-1,5-dicarbonitrile

C180H71F9N30O — CID 158148647

About (3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-dipyridin-2-yl-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2-(4-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacene-1,5-dicarbonitrile

(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-dipyridin-2-yl-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2-(4-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacene-1,5-dicarbonitrile (PubChem CID 158148647) has the molecular formula C180H71F9N30O and a molecular weight of 2840.74 g/mol. Its IUPAC name is (3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-dipyridin-2-yl-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2-(4-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacene-1,5-dicarbonitrile.

Molecular Properties

• Compound Name: (3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-dipyridin-2-yl-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2-(4-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacene-1,5-dicarbonitrile
• PubChem CID: 158148647
• Molecular Formula: C180H71F9N30O
• Molecular Weight: 2840.74 g/mol
• Exact Mass: 2838.63
• IUPAC Name: (3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-dipyridin-2-yl-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2-(4-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacene-1,5-dicarbonitrile
• SMILES: [C-]#[N+]/C(=C1/C(c2ccc(OC(F)(F)F)cc2)=C(C#N)c2c1c(-c1ccc(C#N)cc1)c1c(c2-c2ccc(C#N)cc2)/C(=C(\C#N)c2cc(C#N)cc(C#N)c2)C(c2ccc(C)cc2)=C1C#N)c1cc(C#N)cc(C#N)c1.[C-]#[N+]/C(=C1/C(c2ccccc2)=C(C#N)c2c1c(-c1ccc(C(F)(F)F)cc1)c1c(c2-c2ccc(C(F)(F)F)cc2)/C(=C(\C#N)c2cc(C#N)cc(C#N)c2)C(c2ccccc2)=C1C#N)c1cc(C#N)cc(C#N)c1.[C-]#[N+]/C(=C1/C(c2ccccn2)=C(C#N)c2c1c(-c1ccc(C#N)cc1)c1c(c2-c2ccc(C#N)cc2)/C(=C(\C#N)c2cc(C#N)cc(C#N)c2)C(c2ccccn2)=C1C#N)c1cc(C#N)cc(C#N)c1
• InChI: InChI=1S/C62H25F3N10O.C60H24F6N8.C58H22N12/c1-34-3-9-41(10-4-34)51-49(32-73)56-54(44-13-7-36(26-67)8-14-44)59-57(53(43-11-5-35(25-66)6-12-43)58(56)55(51)48(31-72)45-21-37(27-68)19-38(22-45)28-69)50(33-74)52(42-15-17-47(18-16-42)76-62(63,64)65)60(59)61(75-2)46-23-39(29-70)20-40(24-46)30-71;1-74-58(42-24-35(28-69)21-36(25-42)29-70)57-49(38-10-6-3-7-11-38)47(32-73)54-50(39-12-16-43(17-13-39)59(61,62)63)55-52(45(30-71)41-22-33(26-67)20-34(23-41)27-68)48(37-8-4-2-5-9-37)46(31-72)53(55)51(56(54)57)40-14-18-44(19-15-40)60(64,65)66;1-68-58(42-22-37(28-63)19-38(23-42)29-64)57-51(47-7-3-5-17-70-47)45(32-67)54-48(39-12-8-33(24-59)9-13-39)55-52(43(30-65)41-20-35(26-61)18-36(21-41)27-62)50(46-6-2-4-16-69-46)44(31-66)53(55)49(56(54)57)40-14-10-34(25-60)11-15-40/h3-24H,1H3;2-25H;2-23H/b55-48+,61-60-;52-45+,58-57-;52-43+,58-57-
• InChIKey: FUVDTSGQDYJCQQ-LDBUYFINSA-N
• XLogP: 39.40
• TPSA: 642.84 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2840.74
LogP ≤ 5	39.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

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)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-dipyridin-2-yl-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2-(4-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacene-1,5-dicarbonitrile?

The IUPAC name of (3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-dipyridin-2-yl-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2-(4-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacene-1,5-dicarbonitrile (CID 158148647) is (3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-dipyridin-2-yl-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2-(4-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacene-1,5-dicarbonitrile.

What is the SMILES notation for (3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-dipyridin-2-yl-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2-(4-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacene-1,5-dicarbonitrile?

The canonical SMILES for (3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-dipyridin-2-yl-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2-(4-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacene-1,5-dicarbonitrile is [C-]#[N+]/C(=C1/C(c2ccc(OC(F)(F)F)cc2)=C(C#N)c2c1c(-c1ccc(C#N)cc1)c1c(c2-c2ccc(C#N)cc2)/C(=C(\C#N)c2cc(C#N)cc(C#N)c2)C(c2ccc(C)cc2)=C1C#N)c1cc(C#N)cc(C#N)c1.[C-]#[N+]/C(=C1/C(c2ccccc2)=C(C#N)c2c1c(-c1ccc(C(F)(F)F)cc1)c1c(c2-c2ccc(C(F)(F)F)cc2)/C(=C(\C#N)c2cc(C#N)cc(C#N)c2)C(c2ccccc2)=C1C#N)c1cc(C#N)cc(C#N)c1.[C-]#[N+]/C(=C1/C(c2ccccn2)=C(C#N)c2c1c(-c1ccc(C#N)cc1)c1c(c2-c2ccc(C#N)cc2)/C(=C(\C#N)c2cc(C#N)cc(C#N)c2)C(c2ccccn2)=C1C#N)c1cc(C#N)cc(C#N)c1.

What is the InChIKey of (3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-dipyridin-2-yl-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2-(4-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacene-1,5-dicarbonitrile?

The InChIKey is FUVDTSGQDYJCQQ-LDBUYFINSA-N. The full InChI is InChI=1S/C62H25F3N10O.C60H24F6N8.C58H22N12/c1-34-3-9-41(10-4-34)51-49(32-73)56-54(44-13-7-36(26-67)8-14-44)59-57(53(43-11-5-35(25-66)6-12-43)58(56)55(51)48(31-72)45-21-37(27-68)19-38(22-45)28-69)50(33-74)52(42-15-17-47(18-16-42)76-62(63,64)65)60(59)61(75-2)46-23-39(29-70)20-40(24-46)30-71;1-74-58(42-24-35(28-69)21-36(25-42)29-70)57-49(38-10-6-3-7-11-38)47(32-73)54-50(39-12-16-43(17-13-39)59(61,62)63)55-52(45(30-71)41-22-33(26-67)20-34(23-41)27-68)48(37-8-4-2-5-9-37)46(31-72)53(55)51(56(54)57)40-14-18-44(19-15-40)60(64,65)66;1-68-58(42-22-37(28-63)19-38(23-42)29-64)57-51(47-7-3-5-17-70-47)45(32-67)54-48(39-12-8-33(24-59)9-13-39)55-52(43(30-65)41-20-35(26-61)18-36(21-41)27-62)50(46-6-2-4-16-69-46)44(31-66)53(55)49(56(54)57)40-14-10-34(25-60)11-15-40/h3-24H,1H3;2-25H;2-23H/b55-48+,61-60-;52-45+,58-57-;52-43+,58-57-.

What are the key properties of (3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-dipyridin-2-yl-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2-(4-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacene-1,5-dicarbonitrile?

(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-dipyridin-2-yl-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2-(4-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacene-1,5-dicarbonitrile has a molecular weight of 2840.74 g/mol, XLogP of 39.40, 19 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-dipyridin-2-yl-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2-(4-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacene-1,5-dicarbonitrile is sourced from PubChem (CID 158148647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).