2,4-diphenyl-6-[3-[6-(4-phenylphenyl)-7-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine

C87H53N3S2 — CID 139454848

About 2,4-diphenyl-6-[3-[6-(4-phenylphenyl)-7-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine

2,4-diphenyl-6-[3-[6-(4-phenylphenyl)-7-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine (PubChem CID 139454848) has the molecular formula C87H53N3S2 and a molecular weight of 1204.54 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-[6-(4-phenylphenyl)-7-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[3-[6-(4-phenylphenyl)-7-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
• PubChem CID: 139454848
• Molecular Formula: C87H53N3S2
• Molecular Weight: 1204.54 g/mol
• Exact Mass: 1203.37
• IUPAC Name: 2,4-diphenyl-6-[3-[6-(4-phenylphenyl)-7-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3c(-c4cccc(-c5cccc6c5sc5c(-c7cccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)c7)cccc56)c4)ccc4c3sc3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc34)cc2)cc1
• InChI: InChI=1S/C87H53N3S2/c1-4-20-54(21-5-1)55-42-44-56(45-43-55)80-66(48-49-78-77-41-19-38-69(83(77)92-84(78)80)64-30-16-31-65(52-64)87-89-85(57-22-6-2-7-23-57)88-86(90-87)58-24-8-3-9-25-58)61-27-15-29-63(51-61)68-37-18-40-76-75-39-17-36-67(81(75)91-82(68)76)62-28-14-26-59(50-62)60-46-47-74-72-34-11-10-32-70(72)71-33-12-13-35-73(71)79(74)53-60/h1-53H
• InChIKey: PVUTXYSBJQHHPV-UHFFFAOYSA-N
• XLogP: 24.74
• TPSA: 38.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1204.54
LogP ≤ 5	24.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-[6-(4-phenylphenyl)-7-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine?

The IUPAC name of 2,4-diphenyl-6-[3-[6-(4-phenylphenyl)-7-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine (CID 139454848) is 2,4-diphenyl-6-[3-[6-(4-phenylphenyl)-7-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 2,4-diphenyl-6-[3-[6-(4-phenylphenyl)-7-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine?

The canonical SMILES for 2,4-diphenyl-6-[3-[6-(4-phenylphenyl)-7-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3c(-c4cccc(-c5cccc6c5sc5c(-c7cccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)c7)cccc56)c4)ccc4c3sc3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc34)cc2)cc1.

What is the InChIKey of 2,4-diphenyl-6-[3-[6-(4-phenylphenyl)-7-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine?

The InChIKey is PVUTXYSBJQHHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H53N3S2/c1-4-20-54(21-5-1)55-42-44-56(45-43-55)80-66(48-49-78-77-41-19-38-69(83(77)92-84(78)80)64-30-16-31-65(52-64)87-89-85(57-22-6-2-7-23-57)88-86(90-87)58-24-8-3-9-25-58)61-27-15-29-63(51-61)68-37-18-40-76-75-39-17-36-67(81(75)91-82(68)76)62-28-14-26-59(50-62)60-46-47-74-72-34-11-10-32-70(72)71-33-12-13-35-73(71)79(74)53-60/h1-53H.

What are the key properties of 2,4-diphenyl-6-[3-[6-(4-phenylphenyl)-7-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine?

2,4-diphenyl-6-[3-[6-(4-phenylphenyl)-7-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine has a molecular weight of 1204.54 g/mol, XLogP of 24.74, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[3-[6-(4-phenylphenyl)-7-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 139454848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).