5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2',8'-diphenylspiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]

C102H70N8Si2 — CID 160908481

About 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2',8'-diphenylspiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2',8'-diphenylspiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole] (PubChem CID 160908481) has the molecular formula C102H70N8Si2 and a molecular weight of 1463.91 g/mol. Its IUPAC name is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2',8'-diphenylspiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole].

Molecular Properties

• Compound Name: 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2',8'-diphenylspiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]
• PubChem CID: 160908481
• Molecular Formula: C102H70N8Si2
• Molecular Weight: 1463.91 g/mol
• Exact Mass: 1462.53
• IUPAC Name: 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2',8'-diphenylspiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]
• SMILES: c1ccc(-c2ccc3c(c2)-c2cc(-c4ccccc4)ccc2[Si]32c3ccccc3N(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccccc32)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)cc3)n2)cc1
• InChI: InChI=1S/C57H38N4Si.C45H32N4Si/c1-5-17-39(18-6-1)44-31-35-51-47(37-44)48-38-45(40-19-7-2-8-20-40)32-36-52(48)62(51)53-27-15-13-25-49(53)61(50-26-14-16-28-54(50)62)46-33-29-43(30-34-46)57-59-55(41-21-9-3-10-22-41)58-56(60-57)42-23-11-4-12-24-42;1-5-17-33(18-6-1)43-46-44(34-19-7-2-8-20-34)48-45(47-43)35-29-31-36(32-30-35)49-39-25-13-15-27-41(39)50(37-21-9-3-10-22-37,38-23-11-4-12-24-38)42-28-16-14-26-40(42)49/h1-38H;1-32H
• InChIKey: SQLOHBAZGVXBIJ-UHFFFAOYSA-N
• XLogP: 19.38
• TPSA: 83.82 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1463.91
LogP ≤ 5	19.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2',8'-diphenylspiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]?

The IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2',8'-diphenylspiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole] (CID 160908481) is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2',8'-diphenylspiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole].

What is the SMILES notation for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2',8'-diphenylspiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]?

The canonical SMILES for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2',8'-diphenylspiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole] is c1ccc(-c2ccc3c(c2)-c2cc(-c4ccccc4)ccc2[Si]32c3ccccc3N(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccccc32)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)cc3)n2)cc1.

What is the InChIKey of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2',8'-diphenylspiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]?

The InChIKey is SQLOHBAZGVXBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N4Si.C45H32N4Si/c1-5-17-39(18-6-1)44-31-35-51-47(37-44)48-38-45(40-19-7-2-8-20-40)32-36-52(48)62(51)53-27-15-13-25-49(53)61(50-26-14-16-28-54(50)62)46-33-29-43(30-34-46)57-59-55(41-21-9-3-10-22-41)58-56(60-57)42-23-11-4-12-24-42;1-5-17-33(18-6-1)43-46-44(34-19-7-2-8-20-34)48-45(47-43)35-29-31-36(32-30-35)49-39-25-13-15-27-41(39)50(37-21-9-3-10-22-37,38-23-11-4-12-24-38)42-28-16-14-26-40(42)49/h1-38H;1-32H.

What are the key properties of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2',8'-diphenylspiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]?

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2',8'-diphenylspiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole] has a molecular weight of 1463.91 g/mol, XLogP of 19.38, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2',8'-diphenylspiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole] is sourced from PubChem (CID 160908481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).