[3-[4-(9H-acridin-10-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(3-isocyanophenyl)-diphenylsilane

C47H33N5Si — CID 163555880

About [3-[4-(9H-acridin-10-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(3-isocyanophenyl)-diphenylsilane

[3-[4-(9H-acridin-10-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(3-isocyanophenyl)-diphenylsilane (PubChem CID 163555880) has the molecular formula C47H33N5Si and a molecular weight of 695.90 g/mol. Its IUPAC name is [3-[4-(9H-acridin-10-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(3-isocyanophenyl)-diphenylsilane.

Molecular Properties

• Compound Name: [3-[4-(9H-acridin-10-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(3-isocyanophenyl)-diphenylsilane
• PubChem CID: 163555880
• Molecular Formula: C47H33N5Si
• Molecular Weight: 695.90 g/mol
• Exact Mass: 695.25
• IUPAC Name: [3-[4-(9H-acridin-10-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(3-isocyanophenyl)-diphenylsilane
• SMILES: [C-]#[N+]c1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4ccccc4)nc(N4c5ccccc5Cc5ccccc54)n3)c2)c1
• InChI: InChI=1S/C47H33N5Si/c1-48-38-22-16-28-42(33-38)53(39-23-7-3-8-24-39,40-25-9-4-10-26-40)41-27-15-21-37(32-41)46-49-45(34-17-5-2-6-18-34)50-47(51-46)52-43-29-13-11-19-35(43)31-36-20-12-14-30-44(36)52/h2-30,32-33H,31H2
• InChIKey: RWMPJYNYVPZAMG-UHFFFAOYSA-N
• XLogP: 8.51
• TPSA: 46.27 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	695.90
LogP ≤ 5	8.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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-(9H-acridin-10-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(3-isocyanophenyl)-diphenylsilane?

The IUPAC name of [3-[4-(9H-acridin-10-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(3-isocyanophenyl)-diphenylsilane (CID 163555880) is [3-[4-(9H-acridin-10-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(3-isocyanophenyl)-diphenylsilane.

What is the SMILES notation for [3-[4-(9H-acridin-10-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(3-isocyanophenyl)-diphenylsilane?

The canonical SMILES for [3-[4-(9H-acridin-10-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(3-isocyanophenyl)-diphenylsilane is [C-]#[N+]c1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4ccccc4)nc(N4c5ccccc5Cc5ccccc54)n3)c2)c1.

What is the InChIKey of [3-[4-(9H-acridin-10-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(3-isocyanophenyl)-diphenylsilane?

The InChIKey is RWMPJYNYVPZAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N5Si/c1-48-38-22-16-28-42(33-38)53(39-23-7-3-8-24-39,40-25-9-4-10-26-40)41-27-15-21-37(32-41)46-49-45(34-17-5-2-6-18-34)50-47(51-46)52-43-29-13-11-19-35(43)31-36-20-12-14-30-44(36)52/h2-30,32-33H,31H2.

What are the key properties of [3-[4-(9H-acridin-10-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(3-isocyanophenyl)-diphenylsilane?

[3-[4-(9H-acridin-10-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(3-isocyanophenyl)-diphenylsilane has a molecular weight of 695.90 g/mol, XLogP of 8.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-(9H-acridin-10-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(3-isocyanophenyl)-diphenylsilane is sourced from PubChem (CID 163555880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).