2-[3-cyano-4,8-bis(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(diisocyanomethylidene)-7-isocyano-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile

C130H18F38N28 — CID 160876146

About 2-[3-cyano-4,8-bis(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(diisocyanomethylidene)-7-isocyano-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile

2-[3-cyano-4,8-bis(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(diisocyanomethylidene)-7-isocyano-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile (PubChem CID 160876146) has the molecular formula C130H18F38N28 and a molecular weight of 2693.69 g/mol. Its IUPAC name is 2-[3-cyano-4,8-bis(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(diisocyanomethylidene)-7-isocyano-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile.

Molecular Properties

• Compound Name: 2-[3-cyano-4,8-bis(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(diisocyanomethylidene)-7-isocyano-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile
• PubChem CID: 160876146
• Molecular Formula: C130H18F38N28
• Molecular Weight: 2693.69 g/mol
• Exact Mass: 2692.17
• IUPAC Name: 2-[3-cyano-4,8-bis(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(diisocyanomethylidene)-7-isocyano-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile
• SMILES: [C-]#[N+]C([N+]#[C-])=C1Cc2c(-c3c(F)c(F)c(C#N)c(F)c3F)c3c(c(-c4c(F)c(F)c(C#N)c(F)c4F)c2=C1[N+]#[C-])CC(=C(C#N)C#N)C=3C#N.[C-]#[N+]C([N+]#[C-])=C1Cc2c(-c3c(F)c(F)c(C(F)(F)F)c(F)c3F)c3c(c(-c4c(F)c(F)c(C(F)(F)F)c(F)c4F)c2=C1[N+]#[C-])CC(=C(C#N)C#N)C=3C#N.[C-]#[N+]C([N+]#[C-])=C1Cc2c(-c3c(F)c(F)cc(F)c3F)c3c(c(-c4c(F)c(F)cc(F)c4F)c2=C1[N+]#[C-])CC(=C(C#N)C#N)C=3C#N.[C-]#[N+]C([N+]#[C-])=C1Cc2c(-c3c(F)c(F)nc(F)c3F)c3c(c(-c4c(F)c(F)nc(F)c4F)c2=C1[N+]#[C-])CC(=C(C#N)C#N)C=3C#N
• InChI: InChI=1S/C34H4F14N6.C34H4F8N8.C32H6F8N6.C30H4F8N8/c1-52-31-13(32(53-2)54-3)5-12-16(19-23(35)27(39)21(33(43,44)45)28(40)24(19)36)15-11(4-10(14(15)8-51)9(6-49)7-50)17(18(12)31)20-25(37)29(41)22(34(46,47)48)30(42)26(20)38;1-48-33-15(34(49-2)50-3)5-14-20(23-29(39)25(35)17(9-46)26(36)30(23)40)19-13(4-12(16(19)8-45)11(6-43)7-44)21(22(14)33)24-31(41)27(37)18(10-47)28(38)32(24)42;1-44-31-15(32(45-2)46-3)5-14-22(25-27(37)17(33)6-18(34)28(25)38)21-13(4-12(16(21)10-43)11(8-41)9-42)23(24(14)31)26-29(39)19(35)7-20(36)30(26)40;1-42-25-13(30(43-2)44-3)5-12-16(19-21(31)26(35)45-27(36)22(19)32)15-11(4-10(14(15)8-41)9(6-39)7-40)17(18(12)25)20-23(33)28(37)46-29(38)24(20)34/h4-5H2;4-5H2;6-7H,4-5H2;4-5H2
• InChIKey: SMKMJAFLQWDNBD-UHFFFAOYSA-N
• XLogP: 25.94
• TPSA: 411.16 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2693.69
LogP ≤ 5	25.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

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'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-4,8-bis(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(diisocyanomethylidene)-7-isocyano-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile?

The IUPAC name of 2-[3-cyano-4,8-bis(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(diisocyanomethylidene)-7-isocyano-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile (CID 160876146) is 2-[3-cyano-4,8-bis(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(diisocyanomethylidene)-7-isocyano-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile.

What is the SMILES notation for 2-[3-cyano-4,8-bis(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(diisocyanomethylidene)-7-isocyano-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile?

The canonical SMILES for 2-[3-cyano-4,8-bis(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(diisocyanomethylidene)-7-isocyano-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile is [C-]#[N+]C([N+]#[C-])=C1Cc2c(-c3c(F)c(F)c(C#N)c(F)c3F)c3c(c(-c4c(F)c(F)c(C#N)c(F)c4F)c2=C1[N+]#[C-])CC(=C(C#N)C#N)C=3C#N.[C-]#[N+]C([N+]#[C-])=C1Cc2c(-c3c(F)c(F)c(C(F)(F)F)c(F)c3F)c3c(c(-c4c(F)c(F)c(C(F)(F)F)c(F)c4F)c2=C1[N+]#[C-])CC(=C(C#N)C#N)C=3C#N.[C-]#[N+]C([N+]#[C-])=C1Cc2c(-c3c(F)c(F)cc(F)c3F)c3c(c(-c4c(F)c(F)cc(F)c4F)c2=C1[N+]#[C-])CC(=C(C#N)C#N)C=3C#N.[C-]#[N+]C([N+]#[C-])=C1Cc2c(-c3c(F)c(F)nc(F)c3F)c3c(c(-c4c(F)c(F)nc(F)c4F)c2=C1[N+]#[C-])CC(=C(C#N)C#N)C=3C#N.

What is the InChIKey of 2-[3-cyano-4,8-bis(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(diisocyanomethylidene)-7-isocyano-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile?

The InChIKey is SMKMJAFLQWDNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H4F14N6.C34H4F8N8.C32H6F8N6.C30H4F8N8/c1-52-31-13(32(53-2)54-3)5-12-16(19-23(35)27(39)21(33(43,44)45)28(40)24(19)36)15-11(4-10(14(15)8-51)9(6-49)7-50)17(18(12)31)20-25(37)29(41)22(34(46,47)48)30(42)26(20)38;1-48-33-15(34(49-2)50-3)5-14-20(23-29(39)25(35)17(9-46)26(36)30(23)40)19-13(4-12(16(19)8-45)11(6-43)7-44)21(22(14)33)24-31(41)27(37)18(10-47)28(38)32(24)42;1-44-31-15(32(45-2)46-3)5-14-22(25-27(37)17(33)6-18(34)28(25)38)21-13(4-12(16(21)10-43)11(8-41)9-42)23(24(14)31)26-29(39)19(35)7-20(36)30(26)40;1-42-25-13(30(43-2)44-3)5-12-16(19-21(31)26(35)45-27(36)22(19)32)15-11(4-10(14(15)8-41)9(6-39)7-40)17(18(12)25)20-23(33)28(37)46-29(38)24(20)34/h4-5H2;4-5H2;6-7H,4-5H2;4-5H2.

What are the key properties of 2-[3-cyano-4,8-bis(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(diisocyanomethylidene)-7-isocyano-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile?

2-[3-cyano-4,8-bis(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(diisocyanomethylidene)-7-isocyano-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile has a molecular weight of 2693.69 g/mol, XLogP of 25.94, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-cyano-4,8-bis(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(diisocyanomethylidene)-7-isocyano-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[3-cyano-6-(diisocyanomethylidene)-7-isocyano-4,8-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile is sourced from PubChem (CID 160876146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).