2-(8-isocyanodibenzofuran-2-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-3-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-4-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine

C177H102N12O3 — CID 159850266

About 2-(8-isocyanodibenzofuran-2-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-3-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-4-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine

2-(8-isocyanodibenzofuran-2-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-3-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-4-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 159850266) has the molecular formula C177H102N12O3 and a molecular weight of 2444.84 g/mol. Its IUPAC name is 2-(8-isocyanodibenzofuran-2-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-3-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-4-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(8-isocyanodibenzofuran-2-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-3-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-4-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 159850266
• Molecular Formula: C177H102N12O3
• Molecular Weight: 2444.84 g/mol
• Exact Mass: 2442.82
• IUPAC Name: 2-(8-isocyanodibenzofuran-2-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-3-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-4-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine
• SMILES: [C-]#[N+]c1ccc2oc3c(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc(-c7cccc8c7-c7ccccc7C87c8ccccc8-c8ccccc87)cc6)cc5)n4)cccc3c2c1.[C-]#[N+]c1ccc2oc3cc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc(-c7cccc8c7-c7ccccc7C87c8ccccc8-c8ccccc87)cc6)cc5)n4)ccc3c2c1.[C-]#[N+]c1ccc2oc3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc(-c7cccc8c7-c7ccccc7C87c8ccccc8-c8ccccc87)cc6)cc5)n4)cc3c2c1
• InChI: InChI=1S/3C59H34N4O/c1-60-41-33-34-53-48(35-41)45-19-11-20-47(55(45)64-53)58-62-56(39-13-3-2-4-14-39)61-57(63-58)40-31-27-37(28-32-40)36-25-29-38(30-26-36)42-18-12-24-52-54(42)46-17-7-10-23-51(46)59(52)49-21-8-5-15-43(49)44-16-6-9-22-50(44)59;1-60-42-31-33-53-48(35-42)46-32-30-41(34-54(46)64-53)58-62-56(39-12-3-2-4-13-39)61-57(63-58)40-28-24-37(25-29-40)36-22-26-38(27-23-36)43-17-11-21-52-55(43)47-16-7-10-20-51(47)59(52)49-18-8-5-14-44(49)45-15-6-9-19-50(45)59;1-60-42-31-33-54-48(35-42)47-34-41(30-32-53(47)64-54)58-62-56(39-12-3-2-4-13-39)61-57(63-58)40-28-24-37(25-29-40)36-22-26-38(27-23-36)43-17-11-21-52-55(43)46-16-7-10-20-51(46)59(52)49-18-8-5-14-44(49)45-15-6-9-19-50(45)59/h3*2-35H
• InChIKey: NPVMMMVKTZQEPA-UHFFFAOYSA-N
• XLogP: 45.00
• TPSA: 168.51 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2444.84
LogP ≤ 5	45.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(8-isocyanodibenzofuran-2-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-3-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-4-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine?

The IUPAC name of 2-(8-isocyanodibenzofuran-2-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-3-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-4-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine (CID 159850266) is 2-(8-isocyanodibenzofuran-2-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-3-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-4-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-(8-isocyanodibenzofuran-2-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-3-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-4-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine?

The canonical SMILES for 2-(8-isocyanodibenzofuran-2-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-3-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-4-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine is [C-]#[N+]c1ccc2oc3c(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc(-c7cccc8c7-c7ccccc7C87c8ccccc8-c8ccccc87)cc6)cc5)n4)cccc3c2c1.[C-]#[N+]c1ccc2oc3cc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc(-c7cccc8c7-c7ccccc7C87c8ccccc8-c8ccccc87)cc6)cc5)n4)ccc3c2c1.[C-]#[N+]c1ccc2oc3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc(-c7cccc8c7-c7ccccc7C87c8ccccc8-c8ccccc87)cc6)cc5)n4)cc3c2c1.

What is the InChIKey of 2-(8-isocyanodibenzofuran-2-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-3-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-4-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine?

The InChIKey is NPVMMMVKTZQEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C59H34N4O/c1-60-41-33-34-53-48(35-41)45-19-11-20-47(55(45)64-53)58-62-56(39-13-3-2-4-14-39)61-57(63-58)40-31-27-37(28-32-40)36-25-29-38(30-26-36)42-18-12-24-52-54(42)46-17-7-10-23-51(46)59(52)49-21-8-5-15-43(49)44-16-6-9-22-50(44)59;1-60-42-31-33-53-48(35-42)46-32-30-41(34-54(46)64-53)58-62-56(39-12-3-2-4-13-39)61-57(63-58)40-28-24-37(25-29-40)36-22-26-38(27-23-36)43-17-11-21-52-55(43)47-16-7-10-20-51(47)59(52)49-18-8-5-14-44(49)45-15-6-9-19-50(45)59;1-60-42-31-33-54-48(35-42)47-34-41(30-32-53(47)64-54)58-62-56(39-12-3-2-4-13-39)61-57(63-58)40-28-24-37(25-29-40)36-22-26-38(27-23-36)43-17-11-21-52-55(43)46-16-7-10-20-51(46)59(52)49-18-8-5-14-44(49)45-15-6-9-19-50(45)59/h3*2-35H.

What are the key properties of 2-(8-isocyanodibenzofuran-2-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-3-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-4-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine?

2-(8-isocyanodibenzofuran-2-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-3-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-4-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 2444.84 g/mol, XLogP of 45.00, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-isocyanodibenzofuran-2-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-3-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-4-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 159850266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).