8-[4-(8-cyanodibenzofuran-2-yl)-6-(8-isocyanodibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;8-[4-(8-cyanodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;2-[7'-(3-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[7'-(4-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;8-(1,10-phenanthrolin-2-yl)dibenzofuran-2-carbonitrile

C202H108N22O6 — CID 160693401

About 8-[4-(8-cyanodibenzofuran-2-yl)-6-(8-isocyanodibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;8-[4-(8-cyanodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;2-[7'-(3-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[7'-(4-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;8-(1,10-phenanthrolin-2-yl)dibenzofuran-2-carbonitrile

8-[4-(8-cyanodibenzofuran-2-yl)-6-(8-isocyanodibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;8-[4-(8-cyanodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;2-[7'-(3-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[7'-(4-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;8-(1,10-phenanthrolin-2-yl)dibenzofuran-2-carbonitrile (PubChem CID 160693401) has the molecular formula C202H108N22O6 and a molecular weight of 2939.23 g/mol. Its IUPAC name is 8-[4-(8-cyanodibenzofuran-2-yl)-6-(8-isocyanodibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;8-[4-(8-cyanodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;2-[7'-(3-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[7'-(4-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;8-(1,10-phenanthrolin-2-yl)dibenzofuran-2-carbonitrile.

Molecular Properties

• Compound Name: 8-[4-(8-cyanodibenzofuran-2-yl)-6-(8-isocyanodibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;8-[4-(8-cyanodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;2-[7'-(3-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[7'-(4-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;8-(1,10-phenanthrolin-2-yl)dibenzofuran-2-carbonitrile
• PubChem CID: 160693401
• Molecular Formula: C202H108N22O6
• Molecular Weight: 2939.23 g/mol
• Exact Mass: 2936.88
• IUPAC Name: 8-[4-(8-cyanodibenzofuran-2-yl)-6-(8-isocyanodibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;8-[4-(8-cyanodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;2-[7'-(3-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[7'-(4-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;8-(1,10-phenanthrolin-2-yl)dibenzofuran-2-carbonitrile
• SMILES: N#Cc1ccc2oc3ccc(-c4ccc5ccc6cccnc6c5n4)cc3c2c1.N#Cc1ccc2oc3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6oc7ccc(C#N)cc7c6c5)n4)cc3c2c1.[C-]#[N+]c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc2-3)cc1.[C-]#[N+]c1ccc2oc3ccc(-c4nc(-c5ccc6oc7ccc(C#N)cc7c6c5)nc(-c5ccc6oc7ccc(C#N)cc7c6c5)n4)cc3c2c1.[C-]#[N+]c1cccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2-3)c1
• InChI: InChI=1S/C53H32N4.C47H28N4.C42H18N6O3.C35H17N5O2.C25H13N3O/c1-54-41-28-24-35(25-29-41)40-27-31-45-44-30-26-39(32-48(44)53(49(45)33-40)46-18-10-8-16-42(46)43-17-9-11-19-47(43)53)34-20-22-38(23-21-34)52-56-50(36-12-4-2-5-13-36)55-51(57-52)37-14-6-3-7-15-37;1-48-35-18-12-17-32(27-35)33-23-25-38-39-26-24-34(46-50-44(30-13-4-2-5-14-30)49-45(51-46)31-15-6-3-7-16-31)29-43(39)47(42(38)28-33)40-21-10-8-19-36(40)37-20-9-11-22-41(37)47;1-45-27-7-13-39-33(19-27)32-18-26(6-12-38(32)51-39)42-47-40(24-4-10-36-30(16-24)28-14-22(20-43)2-8-34(28)49-36)46-41(48-42)25-5-11-37-31(17-25)29-15-23(21-44)3-9-35(29)50-37;36-18-20-6-10-29-25(14-20)27-16-23(8-12-31(27)41-29)34-38-33(22-4-2-1-3-5-22)39-35(40-34)24-9-13-32-28(17-24)26-15-21(19-37)7-11-30(26)42-32;26-14-15-3-9-22-19(12-15)20-13-18(7-10-23(20)29-22)21-8-6-17-5-4-16-2-1-11-27-24(16)25(17)28-21/h2-33H;2-29H;2-19H;1-17H;1-13H
• InChIKey: RPRULWMKUJEJSN-UHFFFAOYSA-N
• XLogP: 50.04
• TPSA: 391.33 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2939.23
LogP ≤ 5	50.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[4-(8-cyanodibenzofuran-2-yl)-6-(8-isocyanodibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;8-[4-(8-cyanodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;2-[7'-(3-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[7'-(4-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;8-(1,10-phenanthrolin-2-yl)dibenzofuran-2-carbonitrile?

The IUPAC name of 8-[4-(8-cyanodibenzofuran-2-yl)-6-(8-isocyanodibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;8-[4-(8-cyanodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;2-[7'-(3-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[7'-(4-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;8-(1,10-phenanthrolin-2-yl)dibenzofuran-2-carbonitrile (CID 160693401) is 8-[4-(8-cyanodibenzofuran-2-yl)-6-(8-isocyanodibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;8-[4-(8-cyanodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;2-[7'-(3-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[7'-(4-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;8-(1,10-phenanthrolin-2-yl)dibenzofuran-2-carbonitrile.

What is the SMILES notation for 8-[4-(8-cyanodibenzofuran-2-yl)-6-(8-isocyanodibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;8-[4-(8-cyanodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;2-[7'-(3-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[7'-(4-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;8-(1,10-phenanthrolin-2-yl)dibenzofuran-2-carbonitrile?

The canonical SMILES for 8-[4-(8-cyanodibenzofuran-2-yl)-6-(8-isocyanodibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;8-[4-(8-cyanodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;2-[7'-(3-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[7'-(4-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;8-(1,10-phenanthrolin-2-yl)dibenzofuran-2-carbonitrile is N#Cc1ccc2oc3ccc(-c4ccc5ccc6cccnc6c5n4)cc3c2c1.N#Cc1ccc2oc3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6oc7ccc(C#N)cc7c6c5)n4)cc3c2c1.[C-]#[N+]c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc2-3)cc1.[C-]#[N+]c1ccc2oc3ccc(-c4nc(-c5ccc6oc7ccc(C#N)cc7c6c5)nc(-c5ccc6oc7ccc(C#N)cc7c6c5)n4)cc3c2c1.[C-]#[N+]c1cccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2-3)c1.

What is the InChIKey of 8-[4-(8-cyanodibenzofuran-2-yl)-6-(8-isocyanodibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;8-[4-(8-cyanodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;2-[7'-(3-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[7'-(4-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;8-(1,10-phenanthrolin-2-yl)dibenzofuran-2-carbonitrile?

The InChIKey is RPRULWMKUJEJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4.C47H28N4.C42H18N6O3.C35H17N5O2.C25H13N3O/c1-54-41-28-24-35(25-29-41)40-27-31-45-44-30-26-39(32-48(44)53(49(45)33-40)46-18-10-8-16-42(46)43-17-9-11-19-47(43)53)34-20-22-38(23-21-34)52-56-50(36-12-4-2-5-13-36)55-51(57-52)37-14-6-3-7-15-37;1-48-35-18-12-17-32(27-35)33-23-25-38-39-26-24-34(46-50-44(30-13-4-2-5-14-30)49-45(51-46)31-15-6-3-7-16-31)29-43(39)47(42(38)28-33)40-21-10-8-19-36(40)37-20-9-11-22-41(37)47;1-45-27-7-13-39-33(19-27)32-18-26(6-12-38(32)51-39)42-47-40(24-4-10-36-30(16-24)28-14-22(20-43)2-8-34(28)49-36)46-41(48-42)25-5-11-37-31(17-25)29-15-23(21-44)3-9-35(29)50-37;36-18-20-6-10-29-25(14-20)27-16-23(8-12-31(27)41-29)34-38-33(22-4-2-1-3-5-22)39-35(40-34)24-9-13-32-28(17-24)26-15-21(19-37)7-11-30(26)42-32;26-14-15-3-9-22-19(12-15)20-13-18(7-10-23(20)29-22)21-8-6-17-5-4-16-2-1-11-27-24(16)25(17)28-21/h2-33H;2-29H;2-19H;1-17H;1-13H.

What are the key properties of 8-[4-(8-cyanodibenzofuran-2-yl)-6-(8-isocyanodibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;8-[4-(8-cyanodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;2-[7'-(3-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[7'-(4-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;8-(1,10-phenanthrolin-2-yl)dibenzofuran-2-carbonitrile?

8-[4-(8-cyanodibenzofuran-2-yl)-6-(8-isocyanodibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;8-[4-(8-cyanodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;2-[7'-(3-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[7'-(4-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;8-(1,10-phenanthrolin-2-yl)dibenzofuran-2-carbonitrile has a molecular weight of 2939.23 g/mol, XLogP of 50.04, 16 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(8-cyanodibenzofuran-2-yl)-6-(8-isocyanodibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;8-[4-(8-cyanodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;2-[7'-(3-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[7'-(4-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;8-(1,10-phenanthrolin-2-yl)dibenzofuran-2-carbonitrile is sourced from PubChem (CID 160693401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).