2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine

C84H52N6 — CID 155380136

About 2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine

2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine (PubChem CID 155380136) has the molecular formula C84H52N6 and a molecular weight of 1145.38 g/mol. Its IUPAC name is 2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine
• PubChem CID: 155380136
• Molecular Formula: C84H52N6
• Molecular Weight: 1145.38 g/mol
• Exact Mass: 1144.43
• IUPAC Name: 2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6cccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccc%10c%11ccccc%11c%11ccccc%11c%10c9)n8)cc7)c6)c5)cc4)nc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)cc2)cc1
• InChI: InChI=1S/C84H52N6/c1-3-17-53(18-4-1)54-33-39-58(40-34-54)81-86-82(90-84(89-81)66-46-48-76-72-30-10-8-26-68(72)70-28-12-14-32-74(70)78(76)52-66)60-43-37-56(38-44-60)62-22-16-24-64(50-62)63-23-15-21-61(49-63)55-35-41-59(42-36-55)80-85-79(57-19-5-2-6-20-57)87-83(88-80)65-45-47-75-71-29-9-7-25-67(71)69-27-11-13-31-73(69)77(75)51-65/h1-52H
• InChIKey: RJIGOFUWOHBNOF-UHFFFAOYSA-N
• XLogP: 21.65
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1145.38
LogP ≤ 5	21.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine (CID 155380136) is 2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine.

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

The canonical SMILES for 2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6cccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccc%10c%11ccccc%11c%11ccccc%11c%10c9)n8)cc7)c6)c5)cc4)nc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)cc2)cc1.

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

The InChIKey is RJIGOFUWOHBNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H52N6/c1-3-17-53(18-4-1)54-33-39-58(40-34-54)81-86-82(90-84(89-81)66-46-48-76-72-30-10-8-26-68(72)70-28-12-14-32-74(70)78(76)52-66)60-43-37-56(38-44-60)62-22-16-24-64(50-62)63-23-15-21-61(49-63)55-35-41-59(42-36-55)80-85-79(57-19-5-2-6-20-57)87-83(88-80)65-45-47-75-71-29-9-7-25-67(71)69-27-11-13-31-73(69)77(75)51-65/h1-52H.

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

2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine has a molecular weight of 1145.38 g/mol, XLogP of 21.65, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine is sourced from PubChem (CID 155380136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).