3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-diphenyl-3,12-diaza-15-silahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene

C48H31N5Si — CID 140697875

About 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-diphenyl-3,12-diaza-15-silahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-diphenyl-3,12-diaza-15-silahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene (PubChem CID 140697875) has the molecular formula C48H31N5Si and a molecular weight of 705.90 g/mol. Its IUPAC name is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-diphenyl-3,12-diaza-15-silahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene.

Molecular Properties

• Compound Name: 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-diphenyl-3,12-diaza-15-silahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene
• PubChem CID: 140697875
• Molecular Formula: C48H31N5Si
• Molecular Weight: 705.90 g/mol
• Exact Mass: 705.23
• IUPAC Name: 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-diphenyl-3,12-diaza-15-silahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cnc5c6c(ccc5c43)-c3ccccc3[Si]6(c3ccccc3)c3ccccc3)n2)cc1
• InChI: InChI=1S/C48H31N5Si/c1-5-17-32(18-6-1)46-50-47(33-19-7-2-8-20-33)52-48(51-46)53-41-27-15-13-25-36(41)40-31-49-43-39(44(40)53)30-29-38-37-26-14-16-28-42(37)54(45(38)43,34-21-9-3-10-22-34)35-23-11-4-12-24-35/h1-31H
• InChIKey: QBIWBYJFJAHQFA-UHFFFAOYSA-N
• XLogP: 8.21
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.90
LogP ≤ 5	8.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-diphenyl-3,12-diaza-15-silahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene?

The IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-diphenyl-3,12-diaza-15-silahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene (CID 140697875) is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-diphenyl-3,12-diaza-15-silahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene.

What is the SMILES notation for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-diphenyl-3,12-diaza-15-silahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene?

The canonical SMILES for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-diphenyl-3,12-diaza-15-silahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cnc5c6c(ccc5c43)-c3ccccc3[Si]6(c3ccccc3)c3ccccc3)n2)cc1.

What is the InChIKey of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-diphenyl-3,12-diaza-15-silahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene?

The InChIKey is QBIWBYJFJAHQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N5Si/c1-5-17-32(18-6-1)46-50-47(33-19-7-2-8-20-33)52-48(51-46)53-41-27-15-13-25-36(41)40-31-49-43-39(44(40)53)30-29-38-37-26-14-16-28-42(37)54(45(38)43,34-21-9-3-10-22-34)35-23-11-4-12-24-35/h1-31H.

What are the key properties of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-diphenyl-3,12-diaza-15-silahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene?

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-diphenyl-3,12-diaza-15-silahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene has a molecular weight of 705.90 g/mol, XLogP of 8.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-diphenyl-3,12-diaza-15-silahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 140697875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).