[3-(4-naphthalen-1-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane

C53H35N3OSi — CID 168730415

About [3-(4-naphthalen-1-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane

[3-(4-naphthalen-1-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane (PubChem CID 168730415) has the molecular formula C53H35N3OSi and a molecular weight of 757.97 g/mol. Its IUPAC name is [3-(4-naphthalen-1-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-(4-naphthalen-1-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane
• PubChem CID: 168730415
• Molecular Formula: C53H35N3OSi
• Molecular Weight: 757.97 g/mol
• Exact Mass: 757.25
• IUPAC Name: [3-(4-naphthalen-1-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5oc6cc7ccccc7cc6c45)n3)c2)cc1
• InChI: InChI=1S/C53H35N3OSi/c1-4-22-40(23-5-1)58(41-24-6-2-7-25-41,42-26-8-3-9-27-42)43-28-14-21-39(33-43)51-54-52(45-30-15-20-36-17-12-13-29-44(36)45)56-53(55-51)46-31-16-32-48-50(46)47-34-37-18-10-11-19-38(37)35-49(47)57-48/h1-35H
• InChIKey: XEISWJBCRCPONU-UHFFFAOYSA-N
• XLogP: 10.46
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.97
LogP ≤ 5	10.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(4-naphthalen-1-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane?

The IUPAC name of [3-(4-naphthalen-1-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane (CID 168730415) is [3-(4-naphthalen-1-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane.

What is the SMILES notation for [3-(4-naphthalen-1-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane?

The canonical SMILES for [3-(4-naphthalen-1-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5oc6cc7ccccc7cc6c45)n3)c2)cc1.

What is the InChIKey of [3-(4-naphthalen-1-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane?

The InChIKey is XEISWJBCRCPONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3OSi/c1-4-22-40(23-5-1)58(41-24-6-2-7-25-41,42-26-8-3-9-27-42)43-28-14-21-39(33-43)51-54-52(45-30-15-20-36-17-12-13-29-44(36)45)56-53(55-51)46-31-16-32-48-50(46)47-34-37-18-10-11-19-38(37)35-49(47)57-48/h1-35H.

What are the key properties of [3-(4-naphthalen-1-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane?

[3-(4-naphthalen-1-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane has a molecular weight of 757.97 g/mol, XLogP of 10.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-naphthalen-1-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane is sourced from PubChem (CID 168730415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).