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

C63H42N6 — CID 121315433

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

2-naphthalen-1-yl-4-[4-[[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-diphenylmethyl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 121315433) has the molecular formula C63H42N6 and a molecular weight of 883.07 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-[4-[[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-diphenylmethyl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-naphthalen-1-yl-4-[4-[[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-diphenylmethyl]phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 121315433
• Molecular Formula: C63H42N6
• Molecular Weight: 883.07 g/mol
• Exact Mass: 882.35
• IUPAC Name: 2-naphthalen-1-yl-4-[4-[[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-diphenylmethyl]phenyl]-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc(C(c4ccccc4)(c4ccccc4)c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7ccccc67)n5)cc4)cc3)nc(-c3cccc4ccccc34)n2)cc1
• InChI: InChI=1S/C63H42N6/c1-5-21-45(22-6-1)57-64-59(68-61(66-57)55-33-17-25-43-19-13-15-31-53(43)55)47-35-39-51(40-36-47)63(49-27-9-3-10-28-49,50-29-11-4-12-30-50)52-41-37-48(38-42-52)60-65-58(46-23-7-2-8-24-46)67-62(69-60)56-34-18-26-44-20-14-16-32-54(44)56/h1-42H
• InChIKey: SRERSKZUHNNAAT-UHFFFAOYSA-N
• XLogP: 14.75
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	883.07
LogP ≤ 5	14.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-naphthalen-1-yl-4-[4-[[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-diphenylmethyl]phenyl]-6-phenyl-1,3,5-triazine (CID 121315433) is 2-naphthalen-1-yl-4-[4-[[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-diphenylmethyl]phenyl]-6-phenyl-1,3,5-triazine.

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

The canonical SMILES for 2-naphthalen-1-yl-4-[4-[[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-diphenylmethyl]phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(C(c4ccccc4)(c4ccccc4)c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7ccccc67)n5)cc4)cc3)nc(-c3cccc4ccccc34)n2)cc1.

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

The InChIKey is SRERSKZUHNNAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N6/c1-5-21-45(22-6-1)57-64-59(68-61(66-57)55-33-17-25-43-19-13-15-31-53(43)55)47-35-39-51(40-36-47)63(49-27-9-3-10-28-49,50-29-11-4-12-30-50)52-41-37-48(38-42-52)60-65-58(46-23-7-2-8-24-46)67-62(69-60)56-34-18-26-44-20-14-16-32-54(44)56/h1-42H.

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

2-naphthalen-1-yl-4-[4-[[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-diphenylmethyl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 883.07 g/mol, XLogP of 14.75, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-1-yl-4-[4-[[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-diphenylmethyl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 121315433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).