2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;5-[4-[4,6-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;3,6-ditert-butyl-9-[2-(3,6-ditert-butylcarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole;2-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline

C236H214N20O2Si9 — CID 159388669

About 2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;5-[4-[4,6-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;3,6-ditert-butyl-9-[2-(3,6-ditert-butylcarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole;2-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline

2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;5-[4-[4,6-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;3,6-ditert-butyl-9-[2-(3,6-ditert-butylcarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole;2-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline (PubChem CID 159388669) has the molecular formula C236H214N20O2Si9 and a molecular weight of 3615.22 g/mol. Its IUPAC name is 2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;5-[4-[4,6-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;3,6-ditert-butyl-9-[2-(3,6-ditert-butylcarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole;2-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline.

Molecular Properties

• Compound Name: 2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;5-[4-[4,6-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;3,6-ditert-butyl-9-[2-(3,6-ditert-butylcarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole;2-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline
• PubChem CID: 159388669
• Molecular Formula: C236H214N20O2Si9
• Molecular Weight: 3615.22 g/mol
• Exact Mass: 3611.52
• IUPAC Name: 2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;5-[4-[4,6-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;3,6-ditert-butyl-9-[2-(3,6-ditert-butylcarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole;2-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)-c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1[Si]2(C)C.C[Si]1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4)nc(-c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4)n3)cc2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4)n3)cc2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4)o3)cc2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccccc4)o3)cc2)c2ccccc21
• InChI: InChI=1S/C63H54N6Si3.C54H60N2Si.C49H41N5Si2.C42H36N4OSi2.C28H23N3OSi/c1-70(2)55-25-13-7-19-49(55)67(50-20-8-14-26-56(50)70)46-37-31-43(32-38-46)61-64-62(44-33-39-47(40-34-44)68-51-21-9-15-27-57(51)71(3,4)58-28-16-10-22-52(58)68)66-63(65-61)45-35-41-48(42-36-45)69-53-23-11-17-29-59(53)72(5,6)60-30-18-12-24-54(60)69;1-51(2,3)33-15-21-45-39(27-33)40-28-34(52(4,5)6)16-22-46(40)55(45)37-19-25-49-43(31-37)44-32-38(20-26-50(44)57(49,13)14)56-47-23-17-35(53(7,8)9)29-41(47)42-30-36(54(10,11)12)18-24-48(42)56;1-55(2)43-22-12-8-18-39(43)53(40-19-9-13-23-44(40)55)37-30-26-35(27-31-37)48-50-47(34-16-6-5-7-17-34)51-49(52-48)36-28-32-38(33-29-36)54-41-20-10-14-24-45(41)56(3,4)46-25-15-11-21-42(46)54;1-48(2)37-17-9-5-13-33(37)45(34-14-6-10-18-38(34)48)31-25-21-29(22-26-31)41-43-44-42(47-41)30-23-27-32(28-24-30)46-35-15-7-11-19-39(35)49(3,4)40-20-12-8-16-36(40)46;1-33(2)25-14-8-6-12-23(25)31(24-13-7-9-15-26(24)33)22-18-16-21(17-19-22)28-30-29-27(32-28)20-10-4-3-5-11-20/h7-42H,1-6H3;15-32H,1-14H3;5-33H,1-4H3;5-28H,1-4H3;3-19H,1-2H3
• InChIKey: LLVFTEKSSCYFKN-UHFFFAOYSA-N
• XLogP: 51.27
• TPSA: 190.96 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 267
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3615.22
LogP ≤ 5	51.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;5-[4-[4,6-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;3,6-ditert-butyl-9-[2-(3,6-ditert-butylcarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole;2-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline?

The IUPAC name of 2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;5-[4-[4,6-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;3,6-ditert-butyl-9-[2-(3,6-ditert-butylcarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole;2-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline (CID 159388669) is 2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;5-[4-[4,6-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;3,6-ditert-butyl-9-[2-(3,6-ditert-butylcarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole;2-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline.

What is the SMILES notation for 2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;5-[4-[4,6-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;3,6-ditert-butyl-9-[2-(3,6-ditert-butylcarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole;2-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline?

The canonical SMILES for 2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;5-[4-[4,6-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;3,6-ditert-butyl-9-[2-(3,6-ditert-butylcarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole;2-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)-c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1[Si]2(C)C.C[Si]1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4)nc(-c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4)n3)cc2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4)n3)cc2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4)o3)cc2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccccc4)o3)cc2)c2ccccc21.

What is the InChIKey of 2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;5-[4-[4,6-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;3,6-ditert-butyl-9-[2-(3,6-ditert-butylcarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole;2-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline?

The InChIKey is LLVFTEKSSCYFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H54N6Si3.C54H60N2Si.C49H41N5Si2.C42H36N4OSi2.C28H23N3OSi/c1-70(2)55-25-13-7-19-49(55)67(50-20-8-14-26-56(50)70)46-37-31-43(32-38-46)61-64-62(44-33-39-47(40-34-44)68-51-21-9-15-27-57(51)71(3,4)58-28-16-10-22-52(58)68)66-63(65-61)45-35-41-48(42-36-45)69-53-23-11-17-29-59(53)72(5,6)60-30-18-12-24-54(60)69;1-51(2,3)33-15-21-45-39(27-33)40-28-34(52(4,5)6)16-22-46(40)55(45)37-19-25-49-43(31-37)44-32-38(20-26-50(44)57(49,13)14)56-47-23-17-35(53(7,8)9)29-41(47)42-30-36(54(10,11)12)18-24-48(42)56;1-55(2)43-22-12-8-18-39(43)53(40-19-9-13-23-44(40)55)37-30-26-35(27-31-37)48-50-47(34-16-6-5-7-17-34)51-49(52-48)36-28-32-38(33-29-36)54-41-20-10-14-24-45(41)56(3,4)46-25-15-11-21-42(46)54;1-48(2)37-17-9-5-13-33(37)45(34-14-6-10-18-38(34)48)31-25-21-29(22-26-31)41-43-44-42(47-41)30-23-27-32(28-24-30)46-35-15-7-11-19-39(35)49(3,4)40-20-12-8-16-36(40)46;1-33(2)25-14-8-6-12-23(25)31(24-13-7-9-15-26(24)33)22-18-16-21(17-19-22)28-30-29-27(32-28)20-10-4-3-5-11-20/h7-42H,1-6H3;15-32H,1-14H3;5-33H,1-4H3;5-28H,1-4H3;3-19H,1-2H3.

What are the key properties of 2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;5-[4-[4,6-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;3,6-ditert-butyl-9-[2-(3,6-ditert-butylcarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole;2-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline?

2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;5-[4-[4,6-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;3,6-ditert-butyl-9-[2-(3,6-ditert-butylcarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole;2-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline has a molecular weight of 3615.22 g/mol, XLogP of 51.27, 20 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;5-[4-[4,6-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;3,6-ditert-butyl-9-[2-(3,6-ditert-butylcarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole;2-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 159388669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).