sodium;4-[(5E,10Z)-5,10-bis[cyano(isocyano)methylidene]-6-(4-isocyanobenzene-5-id-1-yl)indeno[2,1-a]inden-1-yl]-2-(trifluoromethoxy)benzonitrile;4-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-1-[4-isocyano-3-methyl-5-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-6-yl]-2-methyl-6-(trifluoromethoxy)benzonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis(3,5-difluorophenyl)indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis[3-methyl-5-(trifluoromethyl)phenyl]indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile

C149H58F19N20NaO3 — CID 159482742

About sodium;4-[(5E,10Z)-5,10-bis[cyano(isocyano)methylidene]-6-(4-isocyanobenzene-5-id-1-yl)indeno[2,1-a]inden-1-yl]-2-(trifluoromethoxy)benzonitrile;4-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-1-[4-isocyano-3-methyl-5-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-6-yl]-2-methyl-6-(trifluoromethoxy)benzonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis(3,5-difluorophenyl)indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis[3-methyl-5-(trifluoromethyl)phenyl]indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile

sodium;4-[(5E,10Z)-5,10-bis[cyano(isocyano)methylidene]-6-(4-isocyanobenzene-5-id-1-yl)indeno[2,1-a]inden-1-yl]-2-(trifluoromethoxy)benzonitrile;4-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-1-[4-isocyano-3-methyl-5-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-6-yl]-2-methyl-6-(trifluoromethoxy)benzonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis(3,5-difluorophenyl)indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis[3-methyl-5-(trifluoromethyl)phenyl]indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile (PubChem CID 159482742) has the molecular formula C149H58F19N20NaO3 and a molecular weight of 2560.19 g/mol. Its IUPAC name is sodium;4-[(5E,10Z)-5,10-bis[cyano(isocyano)methylidene]-6-(4-isocyanobenzene-5-id-1-yl)indeno[2,1-a]inden-1-yl]-2-(trifluoromethoxy)benzonitrile;4-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-1-[4-isocyano-3-methyl-5-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-6-yl]-2-methyl-6-(trifluoromethoxy)benzonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis(3,5-difluorophenyl)indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis[3-methyl-5-(trifluoromethyl)phenyl]indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile.

Molecular Properties

• Compound Name: sodium;4-[(5E,10Z)-5,10-bis[cyano(isocyano)methylidene]-6-(4-isocyanobenzene-5-id-1-yl)indeno[2,1-a]inden-1-yl]-2-(trifluoromethoxy)benzonitrile;4-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-1-[4-isocyano-3-methyl-5-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-6-yl]-2-methyl-6-(trifluoromethoxy)benzonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis(3,5-difluorophenyl)indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis[3-methyl-5-(trifluoromethyl)phenyl]indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile
• PubChem CID: 159482742
• Molecular Formula: C149H58F19N20NaO3
• Molecular Weight: 2560.19 g/mol
• Exact Mass: 2558.46
• IUPAC Name: sodium;4-[(5E,10Z)-5,10-bis[cyano(isocyano)methylidene]-6-(4-isocyanobenzene-5-id-1-yl)indeno[2,1-a]inden-1-yl]-2-(trifluoromethoxy)benzonitrile;4-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-1-[4-isocyano-3-methyl-5-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-6-yl]-2-methyl-6-(trifluoromethoxy)benzonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis(3,5-difluorophenyl)indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis[3-methyl-5-(trifluoromethyl)phenyl]indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile
• SMILES: [C-]#[N+]/C(C#N)=C1\C2=C(/C(=C(\C#N)[N+]#[C-])c3c2cccc3-c2c[c-]c([N+]#[C-])cc2)c2cccc(-c3ccc(C#N)c(OC(F)(F)F)c3)c21.[C-]#[N+]/C(C#N)=C1\C2=C(/C(=C(\C#N)[N+]#[C-])c3c2cccc3-c2cc(C)c([N+]#[C-])c(OC(F)(F)F)c2)c2cccc(-c3cc(C)c(C#N)c(OC(F)(F)F)c3)c21.[C-]#[N+]/C(C#N)=C1\C2=C(/C(=C(\C#N)[N+]#[C-])c3c2cccc3-c2cc(C)cc(C(F)(F)F)c2)c2cccc(-c3cc(C)cc(C(F)(F)F)c3)c21.[C-]#[N+]/C(C#N)=C1\C2=C(/C(=C(\C#N)[N+]#[C-])c3c2cccc3-c2cc(F)cc(F)c2)c2cccc(-c3cc(F)cc(F)c3)c21.[Na+]
• InChI: InChI=1S/C40H16F6N6O2.C38H18F6N4.C37H12F3N6O.C34H12F4N4.Na/c1-19-12-21(14-30(27(19)16-47)53-39(41,42)43)23-8-6-10-25-32(23)36(28(17-48)50-3)35-26-11-7-9-24(33(26)37(34(25)35)29(18-49)51-4)22-13-20(2)38(52-5)31(15-22)54-40(44,45)46;1-19-11-21(15-23(13-19)37(39,40)41)25-7-5-9-27-31(25)35(29(17-45)47-3)34-28-10-6-8-26(32(28)36(33(27)34)30(18-46)48-4)22-12-20(2)14-24(16-22)38(42,43)44;1-44-23-14-12-20(13-15-23)24-6-4-8-26-31(24)35(28(18-42)45-2)34-27-9-5-7-25(32(27)36(33(26)34)29(19-43)46-3)21-10-11-22(17-41)30(16-21)47-37(38,39)40;1-41-27(15-39)33-29-23(17-9-19(35)13-20(36)10-17)5-3-7-25(29)32-31(33)26-8-4-6-24(18-11-21(37)14-22(38)12-18)30(26)34(32)28(16-40)42-2;/h6-15H,1-2H3;5-16H,1-2H3;4-14,16H;3-14H;/q;;-1;;+1/b36-28-,37-29+;35-29-,36-30+;35-28+,36-29-;33-27-,34-28+
• InChIKey: DAHRCUAIKBVGKZ-UZYZJDAXSA-N
• XLogP: 37.24
• TPSA: 309.19 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2560.19
LogP ≤ 5	37.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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 sodium;4-[(5E,10Z)-5,10-bis[cyano(isocyano)methylidene]-6-(4-isocyanobenzene-5-id-1-yl)indeno[2,1-a]inden-1-yl]-2-(trifluoromethoxy)benzonitrile;4-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-1-[4-isocyano-3-methyl-5-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-6-yl]-2-methyl-6-(trifluoromethoxy)benzonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis(3,5-difluorophenyl)indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis[3-methyl-5-(trifluoromethyl)phenyl]indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile?

The IUPAC name of sodium;4-[(5E,10Z)-5,10-bis[cyano(isocyano)methylidene]-6-(4-isocyanobenzene-5-id-1-yl)indeno[2,1-a]inden-1-yl]-2-(trifluoromethoxy)benzonitrile;4-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-1-[4-isocyano-3-methyl-5-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-6-yl]-2-methyl-6-(trifluoromethoxy)benzonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis(3,5-difluorophenyl)indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis[3-methyl-5-(trifluoromethyl)phenyl]indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile (CID 159482742) is sodium;4-[(5E,10Z)-5,10-bis[cyano(isocyano)methylidene]-6-(4-isocyanobenzene-5-id-1-yl)indeno[2,1-a]inden-1-yl]-2-(trifluoromethoxy)benzonitrile;4-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-1-[4-isocyano-3-methyl-5-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-6-yl]-2-methyl-6-(trifluoromethoxy)benzonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis(3,5-difluorophenyl)indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis[3-methyl-5-(trifluoromethyl)phenyl]indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile.

What is the SMILES notation for sodium;4-[(5E,10Z)-5,10-bis[cyano(isocyano)methylidene]-6-(4-isocyanobenzene-5-id-1-yl)indeno[2,1-a]inden-1-yl]-2-(trifluoromethoxy)benzonitrile;4-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-1-[4-isocyano-3-methyl-5-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-6-yl]-2-methyl-6-(trifluoromethoxy)benzonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis(3,5-difluorophenyl)indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis[3-methyl-5-(trifluoromethyl)phenyl]indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile?

The canonical SMILES for sodium;4-[(5E,10Z)-5,10-bis[cyano(isocyano)methylidene]-6-(4-isocyanobenzene-5-id-1-yl)indeno[2,1-a]inden-1-yl]-2-(trifluoromethoxy)benzonitrile;4-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-1-[4-isocyano-3-methyl-5-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-6-yl]-2-methyl-6-(trifluoromethoxy)benzonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis(3,5-difluorophenyl)indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis[3-methyl-5-(trifluoromethyl)phenyl]indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile is [C-]#[N+]/C(C#N)=C1\C2=C(/C(=C(\C#N)[N+]#[C-])c3c2cccc3-c2c[c-]c([N+]#[C-])cc2)c2cccc(-c3ccc(C#N)c(OC(F)(F)F)c3)c21.[C-]#[N+]/C(C#N)=C1\C2=C(/C(=C(\C#N)[N+]#[C-])c3c2cccc3-c2cc(C)c([N+]#[C-])c(OC(F)(F)F)c2)c2cccc(-c3cc(C)c(C#N)c(OC(F)(F)F)c3)c21.[C-]#[N+]/C(C#N)=C1\C2=C(/C(=C(\C#N)[N+]#[C-])c3c2cccc3-c2cc(C)cc(C(F)(F)F)c2)c2cccc(-c3cc(C)cc(C(F)(F)F)c3)c21.[C-]#[N+]/C(C#N)=C1\C2=C(/C(=C(\C#N)[N+]#[C-])c3c2cccc3-c2cc(F)cc(F)c2)c2cccc(-c3cc(F)cc(F)c3)c21.[Na+].

What is the InChIKey of sodium;4-[(5E,10Z)-5,10-bis[cyano(isocyano)methylidene]-6-(4-isocyanobenzene-5-id-1-yl)indeno[2,1-a]inden-1-yl]-2-(trifluoromethoxy)benzonitrile;4-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-1-[4-isocyano-3-methyl-5-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-6-yl]-2-methyl-6-(trifluoromethoxy)benzonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis(3,5-difluorophenyl)indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis[3-methyl-5-(trifluoromethyl)phenyl]indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile?

The InChIKey is DAHRCUAIKBVGKZ-UZYZJDAXSA-N. The full InChI is InChI=1S/C40H16F6N6O2.C38H18F6N4.C37H12F3N6O.C34H12F4N4.Na/c1-19-12-21(14-30(27(19)16-47)53-39(41,42)43)23-8-6-10-25-32(23)36(28(17-48)50-3)35-26-11-7-9-24(33(26)37(34(25)35)29(18-49)51-4)22-13-20(2)38(52-5)31(15-22)54-40(44,45)46;1-19-11-21(15-23(13-19)37(39,40)41)25-7-5-9-27-31(25)35(29(17-45)47-3)34-28-10-6-8-26(32(28)36(33(27)34)30(18-46)48-4)22-12-20(2)14-24(16-22)38(42,43)44;1-44-23-14-12-20(13-15-23)24-6-4-8-26-31(24)35(28(18-42)45-2)34-27-9-5-7-25(32(27)36(33(26)34)29(19-43)46-3)21-10-11-22(17-41)30(16-21)47-37(38,39)40;1-41-27(15-39)33-29-23(17-9-19(35)13-20(36)10-17)5-3-7-25(29)32-31(33)26-8-4-6-24(18-11-21(37)14-22(38)12-18)30(26)34(32)28(16-40)42-2;/h6-15H,1-2H3;5-16H,1-2H3;4-14,16H;3-14H;/q;;-1;;+1/b36-28-,37-29+;35-29-,36-30+;35-28+,36-29-;33-27-,34-28+;.

What are the key properties of sodium;4-[(5E,10Z)-5,10-bis[cyano(isocyano)methylidene]-6-(4-isocyanobenzene-5-id-1-yl)indeno[2,1-a]inden-1-yl]-2-(trifluoromethoxy)benzonitrile;4-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-1-[4-isocyano-3-methyl-5-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-6-yl]-2-methyl-6-(trifluoromethoxy)benzonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis(3,5-difluorophenyl)indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis[3-methyl-5-(trifluoromethyl)phenyl]indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile?

sodium;4-[(5E,10Z)-5,10-bis[cyano(isocyano)methylidene]-6-(4-isocyanobenzene-5-id-1-yl)indeno[2,1-a]inden-1-yl]-2-(trifluoromethoxy)benzonitrile;4-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-1-[4-isocyano-3-methyl-5-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-6-yl]-2-methyl-6-(trifluoromethoxy)benzonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis(3,5-difluorophenyl)indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis[3-methyl-5-(trifluoromethyl)phenyl]indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile has a molecular weight of 2560.19 g/mol, XLogP of 37.24, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-[(5E,10Z)-5,10-bis[cyano(isocyano)methylidene]-6-(4-isocyanobenzene-5-id-1-yl)indeno[2,1-a]inden-1-yl]-2-(trifluoromethoxy)benzonitrile;4-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-1-[4-isocyano-3-methyl-5-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-6-yl]-2-methyl-6-(trifluoromethoxy)benzonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis(3,5-difluorophenyl)indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-1,6-bis[3-methyl-5-(trifluoromethyl)phenyl]indeno[2,1-a]inden-5-ylidene]-2-isocyanoacetonitrile is sourced from PubChem (CID 159482742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).