2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;2-(6,8-dipyridin-2-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine

C168H100N20O4 — CID 160659653

About 2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;2-(6,8-dipyridin-2-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine

2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;2-(6,8-dipyridin-2-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 160659653) has the molecular formula C168H100N20O4 and a molecular weight of 2462.78 g/mol. Its IUPAC name is 2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;2-(6,8-dipyridin-2-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;2-(6,8-dipyridin-2-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 160659653
• Molecular Formula: C168H100N20O4
• Molecular Weight: 2462.78 g/mol
• Exact Mass: 2460.82
• IUPAC Name: 2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;2-(6,8-dipyridin-2-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
• SMILES: [C-]#[N+]c1cccc(-c2cc(-c3cccc(C#N)c3)cc3c2oc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)c1.[C-]#[N+]c1ccccc1-c1cc(-c2ccccc2C#N)cc2c1oc1c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc12.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-c5ccc(-c6ccccn6)cc5)cc(-c5ccc(-c6ccccn6)cc5)cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-c5ccccn5)cc(-c5ccccn5)cc34)n2)cc1
• InChI: InChI=1S/C49H31N5O.2C41H23N5O.C37H23N5O/c1-3-12-36(13-4-1)47-52-48(37-14-5-2-6-15-37)54-49(53-47)40-17-11-16-39-42-31-38(32-20-24-34(25-21-32)43-18-7-9-28-50-43)30-41(46(42)55-45(39)40)33-22-26-35(27-23-33)44-19-8-10-29-51-44;1-43-32-18-9-17-30(22-32)35-23-31(29-16-8-11-26(21-29)25-42)24-36-33-19-10-20-34(37(33)47-38(35)36)41-45-39(27-12-4-2-5-13-27)44-40(46-41)28-14-6-3-7-15-28;1-43-36-22-11-10-19-31(36)34-23-29(30-18-9-8-17-28(30)25-42)24-35-32-20-12-21-33(37(32)47-38(34)35)41-45-39(26-13-4-2-5-14-26)44-40(46-41)27-15-6-3-7-16-27;1-3-12-24(13-4-1)35-40-36(25-14-5-2-6-15-25)42-37(41-35)28-17-11-16-27-29-22-26(31-18-7-9-20-38-31)23-30(34(29)43-33(27)28)32-19-8-10-21-39-32/h1-31H;2*2-24H;1-23H
• InChIKey: RLMTVIMTNDNIQG-UHFFFAOYSA-N
• XLogP: 42.18
• TPSA: 315.10 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2462.78
LogP ≤ 5	42.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;2-(6,8-dipyridin-2-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;2-(6,8-dipyridin-2-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine (CID 160659653) is 2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;2-(6,8-dipyridin-2-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;2-(6,8-dipyridin-2-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;2-(6,8-dipyridin-2-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine is [C-]#[N+]c1cccc(-c2cc(-c3cccc(C#N)c3)cc3c2oc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)c1.[C-]#[N+]c1ccccc1-c1cc(-c2ccccc2C#N)cc2c1oc1c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc12.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-c5ccc(-c6ccccn6)cc5)cc(-c5ccc(-c6ccccn6)cc5)cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-c5ccccn5)cc(-c5ccccn5)cc34)n2)cc1.

What is the InChIKey of 2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;2-(6,8-dipyridin-2-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine?

The InChIKey is RLMTVIMTNDNIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N5O.2C41H23N5O.C37H23N5O/c1-3-12-36(13-4-1)47-52-48(37-14-5-2-6-15-37)54-49(53-47)40-17-11-16-39-42-31-38(32-20-24-34(25-21-32)43-18-7-9-28-50-43)30-41(46(42)55-45(39)40)33-22-26-35(27-23-33)44-19-8-10-29-51-44;1-43-32-18-9-17-30(22-32)35-23-31(29-16-8-11-26(21-29)25-42)24-36-33-19-10-20-34(37(33)47-38(35)36)41-45-39(27-12-4-2-5-13-27)44-40(46-41)28-14-6-3-7-15-28;1-43-36-22-11-10-19-31(36)34-23-29(30-18-9-8-17-28(30)25-42)24-35-32-20-12-21-33(37(32)47-38(34)35)41-45-39(26-13-4-2-5-14-26)44-40(46-41)27-15-6-3-7-16-27;1-3-12-24(13-4-1)35-40-36(25-14-5-2-6-15-25)42-37(41-35)28-17-11-16-27-29-22-26(31-18-7-9-20-38-31)23-30(34(29)43-33(27)28)32-19-8-10-21-39-32/h1-31H;2*2-24H;1-23H.

What are the key properties of 2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;2-(6,8-dipyridin-2-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine?

2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;2-(6,8-dipyridin-2-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 2462.78 g/mol, XLogP of 42.18, 22 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;2-(6,8-dipyridin-2-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 160659653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).