2,3-diisocyanoquinolino[2,3-f][1,7]phenanthroline-6,7-dicarbonitrile;5-isocyano-10,11,16,17-tetramethoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;5-isocyano-10,11,16,17-tetraphenoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;2,3,6,7-tetrafluoroquinolino[2,3-f][1,7]phenanthroline;2,3,6,7-tetrakis(trifluoromethyl)quinolino[2,3-f][1,7]phenanthroline

C121H53F16N29O8 — CID 157319666

About 2,3-diisocyanoquinolino[2,3-f][1,7]phenanthroline-6,7-dicarbonitrile;5-isocyano-10,11,16,17-tetramethoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;5-isocyano-10,11,16,17-tetraphenoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;2,3,6,7-tetrafluoroquinolino[2,3-f][1,7]phenanthroline;2,3,6,7-tetrakis(trifluoromethyl)quinolino[2,3-f][1,7]phenanthroline

2,3-diisocyanoquinolino[2,3-f][1,7]phenanthroline-6,7-dicarbonitrile;5-isocyano-10,11,16,17-tetramethoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;5-isocyano-10,11,16,17-tetraphenoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;2,3,6,7-tetrafluoroquinolino[2,3-f][1,7]phenanthroline;2,3,6,7-tetrakis(trifluoromethyl)quinolino[2,3-f][1,7]phenanthroline (PubChem CID 157319666) has the molecular formula C121H53F16N29O8 and a molecular weight of 2344.92 g/mol. Its IUPAC name is 2,3-diisocyanoquinolino[2,3-f][1,7]phenanthroline-6,7-dicarbonitrile;5-isocyano-10,11,16,17-tetramethoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;5-isocyano-10,11,16,17-tetraphenoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;2,3,6,7-tetrafluoroquinolino[2,3-f][1,7]phenanthroline;2,3,6,7-tetrakis(trifluoromethyl)quinolino[2,3-f][1,7]phenanthroline.

Molecular Properties

• Compound Name: 2,3-diisocyanoquinolino[2,3-f][1,7]phenanthroline-6,7-dicarbonitrile;5-isocyano-10,11,16,17-tetramethoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;5-isocyano-10,11,16,17-tetraphenoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;2,3,6,7-tetrafluoroquinolino[2,3-f][1,7]phenanthroline;2,3,6,7-tetrakis(trifluoromethyl)quinolino[2,3-f][1,7]phenanthroline
• PubChem CID: 157319666
• Molecular Formula: C121H53F16N29O8
• Molecular Weight: 2344.92 g/mol
• Exact Mass: 2343.44
• IUPAC Name: 2,3-diisocyanoquinolino[2,3-f][1,7]phenanthroline-6,7-dicarbonitrile;5-isocyano-10,11,16,17-tetramethoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;5-isocyano-10,11,16,17-tetraphenoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;2,3,6,7-tetrafluoroquinolino[2,3-f][1,7]phenanthroline;2,3,6,7-tetrakis(trifluoromethyl)quinolino[2,3-f][1,7]phenanthroline
• SMILES: FC(F)(F)c1cc2c(nc1C(F)(F)F)c1cc(C(F)(F)F)c(C(F)(F)F)nc1c1cc3ccccc3nc21.Fc1cc2c(nc1F)c1cc(F)c(F)nc1c1cc3ccccc3nc21.[C-]#[N+]c1cc2c3nc(C#N)c(C#N)cc3c3nc4ccccc4cc3c2nc1[N+]#[C-].[C-]#[N+]c1nc2c(nc1C#N)c1nc(OC)c(OC)nc1c1nc(OC)c(OC)nc21.[C-]#[N+]c1nc2c(nc1C#N)c1nc(Oc3ccccc3)c(Oc3ccccc3)nc1c1nc(Oc3ccccc3)c(Oc3ccccc3)nc21
• InChI: InChI=1S/C38H20N8O4.C23H7F12N3.C23H7N7.C19H7F4N3.C18H12N8O4/c1-40-34-27(22-39)41-28-29(42-34)31-33(46-38(50-26-20-12-5-13-21-26)36(44-31)48-24-16-8-3-9-17-24)32-30(28)43-35(47-23-14-6-2-7-15-23)37(45-32)49-25-18-10-4-11-19-25;24-20(25,26)12-6-10-15-9(5-8-3-1-2-4-14(8)36-15)16-11(17(10)38-19(12)23(33,34)35)7-13(21(27,28)29)18(37-16)22(30,31)32;1-26-18-9-16-21-15(8-13(10-24)19(11-25)29-21)20-14(22(16)30-23(18)27-2)7-12-5-3-4-6-17(12)28-20;20-12-6-10-15-9(5-8-3-1-2-4-14(8)24-15)16-11(17(10)26-19(12)23)7-13(21)18(22)25-16;1-20-14-7(6-19)21-8-9(22-14)11-13(26-18(30-5)16(24-11)28-3)12-10(8)23-15(27-2)17(25-12)29-4/h2-21H;1-7H;3-9H;1-7H;2-5H3
• InChIKey: BDZXUQLTIZJADC-UHFFFAOYSA-N
• XLogP: 30.01
• TPSA: 457.13 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 12
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2344.92
LogP ≤ 5	30.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-diisocyanoquinolino[2,3-f][1,7]phenanthroline-6,7-dicarbonitrile;5-isocyano-10,11,16,17-tetramethoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;5-isocyano-10,11,16,17-tetraphenoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;2,3,6,7-tetrafluoroquinolino[2,3-f][1,7]phenanthroline;2,3,6,7-tetrakis(trifluoromethyl)quinolino[2,3-f][1,7]phenanthroline?

The IUPAC name of 2,3-diisocyanoquinolino[2,3-f][1,7]phenanthroline-6,7-dicarbonitrile;5-isocyano-10,11,16,17-tetramethoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;5-isocyano-10,11,16,17-tetraphenoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;2,3,6,7-tetrafluoroquinolino[2,3-f][1,7]phenanthroline;2,3,6,7-tetrakis(trifluoromethyl)quinolino[2,3-f][1,7]phenanthroline (CID 157319666) is 2,3-diisocyanoquinolino[2,3-f][1,7]phenanthroline-6,7-dicarbonitrile;5-isocyano-10,11,16,17-tetramethoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;5-isocyano-10,11,16,17-tetraphenoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;2,3,6,7-tetrafluoroquinolino[2,3-f][1,7]phenanthroline;2,3,6,7-tetrakis(trifluoromethyl)quinolino[2,3-f][1,7]phenanthroline.

What is the SMILES notation for 2,3-diisocyanoquinolino[2,3-f][1,7]phenanthroline-6,7-dicarbonitrile;5-isocyano-10,11,16,17-tetramethoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;5-isocyano-10,11,16,17-tetraphenoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;2,3,6,7-tetrafluoroquinolino[2,3-f][1,7]phenanthroline;2,3,6,7-tetrakis(trifluoromethyl)quinolino[2,3-f][1,7]phenanthroline?

The canonical SMILES for 2,3-diisocyanoquinolino[2,3-f][1,7]phenanthroline-6,7-dicarbonitrile;5-isocyano-10,11,16,17-tetramethoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;5-isocyano-10,11,16,17-tetraphenoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;2,3,6,7-tetrafluoroquinolino[2,3-f][1,7]phenanthroline;2,3,6,7-tetrakis(trifluoromethyl)quinolino[2,3-f][1,7]phenanthroline is FC(F)(F)c1cc2c(nc1C(F)(F)F)c1cc(C(F)(F)F)c(C(F)(F)F)nc1c1cc3ccccc3nc21.Fc1cc2c(nc1F)c1cc(F)c(F)nc1c1cc3ccccc3nc21.[C-]#[N+]c1cc2c3nc(C#N)c(C#N)cc3c3nc4ccccc4cc3c2nc1[N+]#[C-].[C-]#[N+]c1nc2c(nc1C#N)c1nc(OC)c(OC)nc1c1nc(OC)c(OC)nc21.[C-]#[N+]c1nc2c(nc1C#N)c1nc(Oc3ccccc3)c(Oc3ccccc3)nc1c1nc(Oc3ccccc3)c(Oc3ccccc3)nc21.

What is the InChIKey of 2,3-diisocyanoquinolino[2,3-f][1,7]phenanthroline-6,7-dicarbonitrile;5-isocyano-10,11,16,17-tetramethoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;5-isocyano-10,11,16,17-tetraphenoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;2,3,6,7-tetrafluoroquinolino[2,3-f][1,7]phenanthroline;2,3,6,7-tetrakis(trifluoromethyl)quinolino[2,3-f][1,7]phenanthroline?

The InChIKey is BDZXUQLTIZJADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N8O4.C23H7F12N3.C23H7N7.C19H7F4N3.C18H12N8O4/c1-40-34-27(22-39)41-28-29(42-34)31-33(46-38(50-26-20-12-5-13-21-26)36(44-31)48-24-16-8-3-9-17-24)32-30(28)43-35(47-23-14-6-2-7-15-23)37(45-32)49-25-18-10-4-11-19-25;24-20(25,26)12-6-10-15-9(5-8-3-1-2-4-14(8)36-15)16-11(17(10)38-19(12)23(33,34)35)7-13(21(27,28)29)18(37-16)22(30,31)32;1-26-18-9-16-21-15(8-13(10-24)19(11-25)29-21)20-14(22(16)30-23(18)27-2)7-12-5-3-4-6-17(12)28-20;20-12-6-10-15-9(5-8-3-1-2-4-14(8)24-15)16-11(17(10)26-19(12)23)7-13(21)18(22)25-16;1-20-14-7(6-19)21-8-9(22-14)11-13(26-18(30-5)16(24-11)28-3)12-10(8)23-15(27-2)17(25-12)29-4/h2-21H;1-7H;3-9H;1-7H;2-5H3.

What are the key properties of 2,3-diisocyanoquinolino[2,3-f][1,7]phenanthroline-6,7-dicarbonitrile;5-isocyano-10,11,16,17-tetramethoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;5-isocyano-10,11,16,17-tetraphenoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;2,3,6,7-tetrafluoroquinolino[2,3-f][1,7]phenanthroline;2,3,6,7-tetrakis(trifluoromethyl)quinolino[2,3-f][1,7]phenanthroline?

2,3-diisocyanoquinolino[2,3-f][1,7]phenanthroline-6,7-dicarbonitrile;5-isocyano-10,11,16,17-tetramethoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;5-isocyano-10,11,16,17-tetraphenoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;2,3,6,7-tetrafluoroquinolino[2,3-f][1,7]phenanthroline;2,3,6,7-tetrakis(trifluoromethyl)quinolino[2,3-f][1,7]phenanthroline has a molecular weight of 2344.92 g/mol, XLogP of 30.01, 12 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-diisocyanoquinolino[2,3-f][1,7]phenanthroline-6,7-dicarbonitrile;5-isocyano-10,11,16,17-tetramethoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;5-isocyano-10,11,16,17-tetraphenoxy-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene-4-carbonitrile;2,3,6,7-tetrafluoroquinolino[2,3-f][1,7]phenanthroline;2,3,6,7-tetrakis(trifluoromethyl)quinolino[2,3-f][1,7]phenanthroline is sourced from PubChem (CID 157319666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).