(3Z)-3-[cyano(isocyano)methylidene]-2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-1-isocyanoindene-5-carbonitrile;(2Z)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyano-6-methylinden-1-ylidene]-2-isocyanoacetonitrile

C139H36F23N25O — CID 159803693

About (3Z)-3-[cyano(isocyano)methylidene]-2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-1-isocyanoindene-5-carbonitrile;(2Z)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyano-6-methylinden-1-ylidene]-2-isocyanoacetonitrile

(3Z)-3-[cyano(isocyano)methylidene]-2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-1-isocyanoindene-5-carbonitrile;(2Z)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyano-6-methylinden-1-ylidene]-2-isocyanoacetonitrile (PubChem CID 159803693) has the molecular formula C139H36F23N25O and a molecular weight of 2508.94 g/mol. Its IUPAC name is (3Z)-3-[cyano(isocyano)methylidene]-2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-1-isocyanoindene-5-carbonitrile;(2Z)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyano-6-methylinden-1-ylidene]-2-isocyanoacetonitrile.

Molecular Properties

• Compound Name: (3Z)-3-[cyano(isocyano)methylidene]-2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-1-isocyanoindene-5-carbonitrile;(2Z)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyano-6-methylinden-1-ylidene]-2-isocyanoacetonitrile
• PubChem CID: 159803693
• Molecular Formula: C139H36F23N25O
• Molecular Weight: 2508.94 g/mol
• Exact Mass: 2507.32
• IUPAC Name: (3Z)-3-[cyano(isocyano)methylidene]-2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-1-isocyanoindene-5-carbonitrile;(2Z)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyano-6-methylinden-1-ylidene]-2-isocyanoacetonitrile
• SMILES: [C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2cc(-c4nc(F)c(F)c(F)c4F)ccc2-3)/C(=C(/C#N)[N+]#[C-])c2c(F)c(F)c(F)c(F)c21.[C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2cc(-c4nc(F)c(F)c(F)c4F)ccc2-3)/C(=C(/C#N)[N+]#[C-])c2cc(C#N)ccc21.[C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2cc(-c4nc(F)c(F)c(F)c4F)ccc2-3)/C(=C(/C#N)[N+]#[C-])c2cc(C)ccc21.[C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2cc(-c4nc(F)c(F)c(F)c4F)ccc2-3)/C(=C(/C#N)[N+]#[C-])c2cc(OC(F)(F)F)ccc21
• InChI: InChI=1S/C35H9F7N6O.C35H9F4N7.C35H12F4N6.C34H6F8N6/c1-45-24(13-43)27-21-10-15(4-7-18(21)19-8-5-16(11-22(19)27)32-30(37)29(36)31(38)34(39)48-32)26-28(25(14-44)46-2)23-12-17(49-35(40,41)42)6-9-20(23)33(26)47-3;1-43-25(14-41)28-23-11-17(27-29(26(15-42)44-2)22-10-16(13-40)4-7-21(22)34(27)45-3)5-8-19(23)20-9-6-18(12-24(20)28)33-31(37)30(36)32(38)35(39)46-33;1-16-5-8-21-22(11-16)29(26(15-41)43-3)27(34(21)44-4)17-6-9-19-20-10-7-18(33-31(37)30(36)32(38)35(39)45-33)13-24(20)28(23(19)12-17)25(14-40)42-2;1-45-18(10-43)21-16-8-12(20-22(19(11-44)46-2)23-24(33(20)47-3)26(36)28(38)27(37)25(23)35)4-6-14(16)15-7-5-13(9-17(15)21)32-30(40)29(39)31(41)34(42)48-32/h4-12H;4-12H;5-13H,1H3;4-9H/b27-24-,28-25-;2*28-25-,29-26-;21-18-,22-19+
• InChIKey: NKCQOFBJXNUOIA-GLNTZIRTSA-N
• XLogP: 35.41
• TPSA: 327.22 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2508.94
LogP ≤ 5	35.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[cyano(isocyano)methylidene]-2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-1-isocyanoindene-5-carbonitrile;(2Z)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyano-6-methylinden-1-ylidene]-2-isocyanoacetonitrile?

The IUPAC name of (3Z)-3-[cyano(isocyano)methylidene]-2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-1-isocyanoindene-5-carbonitrile;(2Z)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyano-6-methylinden-1-ylidene]-2-isocyanoacetonitrile (CID 159803693) is (3Z)-3-[cyano(isocyano)methylidene]-2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-1-isocyanoindene-5-carbonitrile;(2Z)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyano-6-methylinden-1-ylidene]-2-isocyanoacetonitrile.

What is the SMILES notation for (3Z)-3-[cyano(isocyano)methylidene]-2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-1-isocyanoindene-5-carbonitrile;(2Z)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyano-6-methylinden-1-ylidene]-2-isocyanoacetonitrile?

The canonical SMILES for (3Z)-3-[cyano(isocyano)methylidene]-2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-1-isocyanoindene-5-carbonitrile;(2Z)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyano-6-methylinden-1-ylidene]-2-isocyanoacetonitrile is [C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2cc(-c4nc(F)c(F)c(F)c4F)ccc2-3)/C(=C(/C#N)[N+]#[C-])c2c(F)c(F)c(F)c(F)c21.[C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2cc(-c4nc(F)c(F)c(F)c4F)ccc2-3)/C(=C(/C#N)[N+]#[C-])c2cc(C#N)ccc21.[C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2cc(-c4nc(F)c(F)c(F)c4F)ccc2-3)/C(=C(/C#N)[N+]#[C-])c2cc(C)ccc21.[C-]#[N+]C1=C(c2ccc3c(c2)/C(=C(\C#N)[N+]#[C-])c2cc(-c4nc(F)c(F)c(F)c4F)ccc2-3)/C(=C(/C#N)[N+]#[C-])c2cc(OC(F)(F)F)ccc21.

What is the InChIKey of (3Z)-3-[cyano(isocyano)methylidene]-2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-1-isocyanoindene-5-carbonitrile;(2Z)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyano-6-methylinden-1-ylidene]-2-isocyanoacetonitrile?

The InChIKey is NKCQOFBJXNUOIA-GLNTZIRTSA-N. The full InChI is InChI=1S/C35H9F7N6O.C35H9F4N7.C35H12F4N6.C34H6F8N6/c1-45-24(13-43)27-21-10-15(4-7-18(21)19-8-5-16(11-22(19)27)32-30(37)29(36)31(38)34(39)48-32)26-28(25(14-44)46-2)23-12-17(49-35(40,41)42)6-9-20(23)33(26)47-3;1-43-25(14-41)28-23-11-17(27-29(26(15-42)44-2)22-10-16(13-40)4-7-21(22)34(27)45-3)5-8-19(23)20-9-6-18(12-24(20)28)33-31(37)30(36)32(38)35(39)46-33;1-16-5-8-21-22(11-16)29(26(15-41)43-3)27(34(21)44-4)17-6-9-19-20-10-7-18(33-31(37)30(36)32(38)35(39)45-33)13-24(20)28(23(19)12-17)25(14-40)42-2;1-45-18(10-43)21-16-8-12(20-22(19(11-44)46-2)23-24(33(20)47-3)26(36)28(38)27(37)25(23)35)4-6-14(16)15-7-5-13(9-17(15)21)32-30(40)29(39)31(41)34(42)48-32/h4-12H;4-12H;5-13H,1H3;4-9H/b27-24-,28-25-;2*28-25-,29-26-;21-18-,22-19+.

What are the key properties of (3Z)-3-[cyano(isocyano)methylidene]-2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-1-isocyanoindene-5-carbonitrile;(2Z)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyano-6-methylinden-1-ylidene]-2-isocyanoacetonitrile?

(3Z)-3-[cyano(isocyano)methylidene]-2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-1-isocyanoindene-5-carbonitrile;(2Z)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyano-6-methylinden-1-ylidene]-2-isocyanoacetonitrile has a molecular weight of 2508.94 g/mol, XLogP of 35.41, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z)-3-[cyano(isocyano)methylidene]-2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-1-isocyanoindene-5-carbonitrile;(2Z)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-3-isocyano-6-methylinden-1-ylidene]-2-isocyanoacetonitrile is sourced from PubChem (CID 159803693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).