5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[4-phenoxazin-10-yl-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenazine

C204H138N36O2Si2 — CID 161045076

About 5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[4-phenoxazin-10-yl-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenazine

5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[4-phenoxazin-10-yl-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenazine (PubChem CID 161045076) has the molecular formula C204H138N36O2Si2 and a molecular weight of 3181.77 g/mol. Its IUPAC name is 5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[4-phenoxazin-10-yl-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenazine.

Molecular Properties

• Compound Name: 5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[4-phenoxazin-10-yl-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenazine
• PubChem CID: 161045076
• Molecular Formula: C204H138N36O2Si2
• Molecular Weight: 3181.77 g/mol
• Exact Mass: 3179.13
• IUPAC Name: 5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[4-phenoxazin-10-yl-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenazine
• SMILES: C[Si]1(C)c2ccccc2N(c2ccc(-c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc3-c3nc(-c4cccnc4)nc(-c4ccccn4)n3)c(-c3nc(-c4cccnc4)nc(-c4ccccn4)n3)c2)c2ccccc21.c1ccc(-c2cc(-c3cccnc3)nc(-c3cc(N4c5ccccc5Oc5ccccc54)ccc3-c3ccc(N4c5ccccc5Oc5ccccc54)cc3-c3nc(-c4cccnc4)cc(-c4ccccn4)n3)n2)nc1.c1ccc(N2c3ccccc3N(c3ccc(-c4ccc(N5c6ccccc6N(c6ccccc6)c6ccccc65)cc4-c4nc(-c5cccnc5)nc(-c5ccccn5)n4)c(-c4nc(-c5cccnc5)nc(-c5ccccn5)n4)c3)c3ccccc32)cc1
• InChI: InChI=1S/C74H48N14.C66H50N12Si2.C64H40N10O2/c1-3-23-51(24-4-1)85-61-29-7-11-33-65(61)87(66-34-12-8-30-62(66)85)53-37-39-55(57(45-53)71-79-69(49-21-19-41-75-47-49)81-73(83-71)59-27-15-17-43-77-59)56-40-38-54(46-58(56)72-80-70(50-22-20-42-76-48-50)82-74(84-72)60-28-16-18-44-78-60)88-67-35-13-9-31-63(67)86(52-25-5-2-6-26-52)64-32-10-14-36-68(64)88;1-79(2)57-27-9-5-23-53(57)77(54-24-6-10-28-58(54)79)45-31-33-47(49(39-45)63-71-61(43-19-17-35-67-41-43)73-65(75-63)51-21-13-15-37-69-51)48-34-32-46(78-55-25-7-11-29-59(55)80(3,4)60-30-12-8-26-56(60)78)40-50(48)64-72-62(44-20-18-36-68-42-44)74-66(76-64)52-22-14-16-38-70-52;1-5-23-59-55(19-1)73(56-20-2-6-24-60(56)75-59)43-27-29-45(47(35-43)63-69-51(41-15-13-31-65-39-41)37-53(71-63)49-17-9-11-33-67-49)46-30-28-44(74-57-21-3-7-25-61(57)76-62-26-8-4-22-58(62)74)36-48(46)64-70-52(42-16-14-32-66-40-42)38-54(72-64)50-18-10-12-34-68-50/h1-48H;5-42H,1-4H3;1-40H
• InChIKey: UBJZUBZCBRDSJV-UHFFFAOYSA-N
• XLogP: 46.00
• TPSA: 405.30 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 29
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3181.77
LogP ≤ 5	46.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[4-phenoxazin-10-yl-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenazine?

The IUPAC name of 5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[4-phenoxazin-10-yl-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenazine (CID 161045076) is 5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[4-phenoxazin-10-yl-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenazine.

What is the SMILES notation for 5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[4-phenoxazin-10-yl-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenazine?

The canonical SMILES for 5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[4-phenoxazin-10-yl-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenazine is C[Si]1(C)c2ccccc2N(c2ccc(-c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc3-c3nc(-c4cccnc4)nc(-c4ccccn4)n3)c(-c3nc(-c4cccnc4)nc(-c4ccccn4)n3)c2)c2ccccc21.c1ccc(-c2cc(-c3cccnc3)nc(-c3cc(N4c5ccccc5Oc5ccccc54)ccc3-c3ccc(N4c5ccccc5Oc5ccccc54)cc3-c3nc(-c4cccnc4)cc(-c4ccccn4)n3)n2)nc1.c1ccc(N2c3ccccc3N(c3ccc(-c4ccc(N5c6ccccc6N(c6ccccc6)c6ccccc65)cc4-c4nc(-c5cccnc5)nc(-c5ccccn5)n4)c(-c4nc(-c5cccnc5)nc(-c5ccccn5)n4)c3)c3ccccc32)cc1.

What is the InChIKey of 5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[4-phenoxazin-10-yl-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenazine?

The InChIKey is UBJZUBZCBRDSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N14.C66H50N12Si2.C64H40N10O2/c1-3-23-51(24-4-1)85-61-29-7-11-33-65(61)87(66-34-12-8-30-62(66)85)53-37-39-55(57(45-53)71-79-69(49-21-19-41-75-47-49)81-73(83-71)59-27-15-17-43-77-59)56-40-38-54(46-58(56)72-80-70(50-22-20-42-76-48-50)82-74(84-72)60-28-16-18-44-78-60)88-67-35-13-9-31-63(67)86(52-25-5-2-6-26-52)64-32-10-14-36-68(64)88;1-79(2)57-27-9-5-23-53(57)77(54-24-6-10-28-58(54)79)45-31-33-47(49(39-45)63-71-61(43-19-17-35-67-41-43)73-65(75-63)51-21-13-15-37-69-51)48-34-32-46(78-55-25-7-11-29-59(55)80(3,4)60-30-12-8-26-56(60)78)40-50(48)64-72-62(44-20-18-36-68-42-44)74-66(76-64)52-22-14-16-38-70-52;1-5-23-59-55(19-1)73(56-20-2-6-24-60(56)75-59)43-27-29-45(47(35-43)63-69-51(41-15-13-31-65-39-41)37-53(71-63)49-17-9-11-33-67-49)46-30-28-44(74-57-21-3-7-25-61(57)76-62-26-8-4-22-58(62)74)36-48(46)64-70-52(42-16-14-32-66-40-42)38-54(72-64)50-18-10-12-34-68-50/h1-48H;5-42H,1-4H3;1-40H.

What are the key properties of 5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[4-phenoxazin-10-yl-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenazine?

5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[4-phenoxazin-10-yl-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenazine has a molecular weight of 3181.77 g/mol, XLogP of 46.00, 29 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[4-phenoxazin-10-yl-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenazine is sourced from PubChem (CID 161045076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).