5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[2,1-a]inden-7-yl]-2-fluorobenzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethoxy)benzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethyl)benzonitrile;2-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-7-[2-isocyano-3-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-2-yl]-6-methylbenzonitrile

C150H57F11N24O2 — CID 162163433

About 5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[2,1-a]inden-7-yl]-2-fluorobenzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethoxy)benzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethyl)benzonitrile;2-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-7-[2-isocyano-3-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-2-yl]-6-methylbenzonitrile

5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[2,1-a]inden-7-yl]-2-fluorobenzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethoxy)benzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethyl)benzonitrile;2-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-7-[2-isocyano-3-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-2-yl]-6-methylbenzonitrile (PubChem CID 162163433) has the molecular formula C150H57F11N24O2 and a molecular weight of 2436.25 g/mol. Its IUPAC name is 5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[2,1-a]inden-7-yl]-2-fluorobenzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethoxy)benzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethyl)benzonitrile;2-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-7-[2-isocyano-3-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-2-yl]-6-methylbenzonitrile.

Molecular Properties

• Compound Name: 5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[2,1-a]inden-7-yl]-2-fluorobenzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethoxy)benzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethyl)benzonitrile;2-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-7-[2-isocyano-3-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-2-yl]-6-methylbenzonitrile
• PubChem CID: 162163433
• Molecular Formula: C150H57F11N24O2
• Molecular Weight: 2436.25 g/mol
• Exact Mass: 2434.49
• IUPAC Name: 5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[2,1-a]inden-7-yl]-2-fluorobenzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethoxy)benzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethyl)benzonitrile;2-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-7-[2-isocyano-3-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-2-yl]-6-methylbenzonitrile
• SMILES: [C-]#[N+]/C(C#N)=C1\C2=C(/C(=C(\C#N)[N+]#[C-])c3cc(-c4ccc(C)c([N+]#[C-])c4)ccc32)c2ccc(-c3ccc(C(F)(F)F)c(C#N)c3)cc21.[C-]#[N+]/C(C#N)=C1\C2=C(/C(=C(\C#N)[N+]#[C-])c3cc(-c4ccc(C)c([N+]#[C-])c4)ccc32)c2ccc(-c3ccc(OC(F)(F)F)c(C#N)c3)cc21.[C-]#[N+]/C(C#N)=C1\C2=C(/C(=C(\C#N)[N+]#[C-])c3cc(-c4ccc(F)c([N+]#[C-])c4)ccc32)c2ccc(-c3ccc(F)c(C#N)c3)cc21.[C-]#[N+]/C(C#N)=C1\C2=C(/C(=C(\C#N)[N+]#[C-])c3cc(-c4cccc(C)c4C#N)ccc32)c2ccc(-c3cccc(OC(F)(F)F)c3[N+]#[C-])cc21
• InChI: InChI=1S/2C38H15F3N6O.C38H15F3N6.C36H12F2N6/c1-20-7-5-8-23(29(20)17-42)21-11-13-25-27(15-21)33(30(18-43)45-2)36-26-14-12-22(16-28(26)34(35(25)36)31(19-44)46-3)24-9-6-10-32(37(24)47-4)48-38(39,40)41;1-20-5-6-24(16-30(20)45-2)23-8-11-27-29(15-23)35(32(19-44)47-4)36-26-10-7-22(14-28(26)34(37(27)36)31(18-43)46-3)21-9-12-33(25(13-21)17-42)48-38(39,40)41;1-20-5-6-24(16-31(20)45-2)23-8-11-27-29(15-23)35(33(19-44)47-4)36-26-10-7-22(14-28(26)34(37(27)36)32(18-43)46-3)21-9-12-30(38(39,40)41)25(13-21)17-42;1-42-30-15-22(7-11-29(30)38)21-5-9-25-27(14-21)34(32(18-41)44-3)35-24-8-4-20(19-6-10-28(37)23(12-19)16-39)13-26(24)33(36(25)35)31(17-40)43-2/h2*5-16H,1H3;5-16H,1H3;4-15H/b33-30+,34-31-;34-31-,35-32+;34-32-,35-33+;33-31-,34-32+
• InChIKey: ZMULUGOMDWGFGQ-OVDXHDROSA-N
• XLogP: 38.78
• TPSA: 356.26 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2436.25
LogP ≤ 5	38.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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 5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[2,1-a]inden-7-yl]-2-fluorobenzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethoxy)benzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethyl)benzonitrile;2-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-7-[2-isocyano-3-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-2-yl]-6-methylbenzonitrile?

The IUPAC name of 5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[2,1-a]inden-7-yl]-2-fluorobenzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethoxy)benzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethyl)benzonitrile;2-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-7-[2-isocyano-3-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-2-yl]-6-methylbenzonitrile (CID 162163433) is 5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[2,1-a]inden-7-yl]-2-fluorobenzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethoxy)benzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethyl)benzonitrile;2-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-7-[2-isocyano-3-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-2-yl]-6-methylbenzonitrile.

What is the SMILES notation for 5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[2,1-a]inden-7-yl]-2-fluorobenzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethoxy)benzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethyl)benzonitrile;2-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-7-[2-isocyano-3-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-2-yl]-6-methylbenzonitrile?

The canonical SMILES for 5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[2,1-a]inden-7-yl]-2-fluorobenzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethoxy)benzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethyl)benzonitrile;2-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-7-[2-isocyano-3-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-2-yl]-6-methylbenzonitrile is [C-]#[N+]/C(C#N)=C1\C2=C(/C(=C(\C#N)[N+]#[C-])c3cc(-c4ccc(C)c([N+]#[C-])c4)ccc32)c2ccc(-c3ccc(C(F)(F)F)c(C#N)c3)cc21.[C-]#[N+]/C(C#N)=C1\C2=C(/C(=C(\C#N)[N+]#[C-])c3cc(-c4ccc(C)c([N+]#[C-])c4)ccc32)c2ccc(-c3ccc(OC(F)(F)F)c(C#N)c3)cc21.[C-]#[N+]/C(C#N)=C1\C2=C(/C(=C(\C#N)[N+]#[C-])c3cc(-c4ccc(F)c([N+]#[C-])c4)ccc32)c2ccc(-c3ccc(F)c(C#N)c3)cc21.[C-]#[N+]/C(C#N)=C1\C2=C(/C(=C(\C#N)[N+]#[C-])c3cc(-c4cccc(C)c4C#N)ccc32)c2ccc(-c3cccc(OC(F)(F)F)c3[N+]#[C-])cc21.

What is the InChIKey of 5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[2,1-a]inden-7-yl]-2-fluorobenzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethoxy)benzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethyl)benzonitrile;2-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-7-[2-isocyano-3-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-2-yl]-6-methylbenzonitrile?

The InChIKey is ZMULUGOMDWGFGQ-OVDXHDROSA-N. The full InChI is InChI=1S/2C38H15F3N6O.C38H15F3N6.C36H12F2N6/c1-20-7-5-8-23(29(20)17-42)21-11-13-25-27(15-21)33(30(18-43)45-2)36-26-14-12-22(16-28(26)34(35(25)36)31(19-44)46-3)24-9-6-10-32(37(24)47-4)48-38(39,40)41;1-20-5-6-24(16-30(20)45-2)23-8-11-27-29(15-23)35(32(19-44)47-4)36-26-10-7-22(14-28(26)34(37(27)36)31(18-43)46-3)21-9-12-33(25(13-21)17-42)48-38(39,40)41;1-20-5-6-24(16-31(20)45-2)23-8-11-27-29(15-23)35(33(19-44)47-4)36-26-10-7-22(14-28(26)34(37(27)36)32(18-43)46-3)21-9-12-30(38(39,40)41)25(13-21)17-42;1-42-30-15-22(7-11-29(30)38)21-5-9-25-27(14-21)34(32(18-41)44-3)35-24-8-4-20(19-6-10-28(37)23(12-19)16-39)13-26(24)33(36(25)35)31(17-40)43-2/h2*5-16H,1H3;5-16H,1H3;4-15H/b33-30+,34-31-;34-31-,35-32+;34-32-,35-33+;33-31-,34-32+.

What are the key properties of 5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[2,1-a]inden-7-yl]-2-fluorobenzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethoxy)benzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethyl)benzonitrile;2-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-7-[2-isocyano-3-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-2-yl]-6-methylbenzonitrile?

5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[2,1-a]inden-7-yl]-2-fluorobenzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethoxy)benzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethyl)benzonitrile;2-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-7-[2-isocyano-3-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-2-yl]-6-methylbenzonitrile has a molecular weight of 2436.25 g/mol, XLogP of 38.78, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[2,1-a]inden-7-yl]-2-fluorobenzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethoxy)benzonitrile;5-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-2-(3-isocyano-4-methylphenyl)indeno[2,1-a]inden-7-yl]-2-(trifluoromethyl)benzonitrile;2-[(5Z,10E)-5,10-bis[cyano(isocyano)methylidene]-7-[2-isocyano-3-(trifluoromethoxy)phenyl]indeno[2,1-a]inden-2-yl]-6-methylbenzonitrile is sourced from PubChem (CID 162163433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).