2-[10-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine

C43H31N3Si — CID 155787263

About 2-[10-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine

2-[10-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 155787263) has the molecular formula C43H31N3Si and a molecular weight of 617.83 g/mol. Its IUPAC name is 2-[10-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[10-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 155787263
• Molecular Formula: C43H31N3Si
• Molecular Weight: 617.83 g/mol
• Exact Mass: 617.23
• IUPAC Name: 2-[10-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine
• SMILES: C[Si]1(C)c2ccccc2-c2cccc(-c3c4ccccc4c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)c21
• InChI: InChI=1S/C43H31N3Si/c1-47(2)37-27-14-13-20-30(37)35-25-15-26-36(40(35)47)38-31-21-9-11-23-33(31)39(34-24-12-10-22-32(34)38)43-45-41(28-16-5-3-6-17-28)44-42(46-43)29-18-7-4-8-19-29/h3-27H,1-2H3
• InChIKey: GAEYAZACVYZTQK-UHFFFAOYSA-N
• XLogP: 9.65
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.83
LogP ≤ 5	9.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[10-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[10-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine (CID 155787263) is 2-[10-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[10-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[10-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine is C[Si]1(C)c2ccccc2-c2cccc(-c3c4ccccc4c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)c21.

What is the InChIKey of 2-[10-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is GAEYAZACVYZTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3Si/c1-47(2)37-27-14-13-20-30(37)35-25-15-26-36(40(35)47)38-31-21-9-11-23-33(31)39(34-24-12-10-22-32(34)38)43-45-41(28-16-5-3-6-17-28)44-42(46-43)29-18-7-4-8-19-29/h3-27H,1-2H3.

What are the key properties of 2-[10-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine?

2-[10-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 617.83 g/mol, XLogP of 9.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 155787263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).