4-(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-undecaen-3-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;15,15-diphenyl-3-(4-phenylquinazolin-2-yl)-3,12,24-triaza-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-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-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

C198H126N18SSi4 — CID 158244425

About 4-(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-undecaen-3-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;15,15-diphenyl-3-(4-phenylquinazolin-2-yl)-3,12,24-triaza-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-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-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

4-(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-undecaen-3-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;15,15-diphenyl-3-(4-phenylquinazolin-2-yl)-3,12,24-triaza-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-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-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 158244425) has the molecular formula C198H126N18SSi4 and a molecular weight of 2901.72 g/mol. Its IUPAC name is 4-(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-undecaen-3-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;15,15-diphenyl-3-(4-phenylquinazolin-2-yl)-3,12,24-triaza-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-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-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.

Molecular Properties

• Compound Name: 4-(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-undecaen-3-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;15,15-diphenyl-3-(4-phenylquinazolin-2-yl)-3,12,24-triaza-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-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-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: 158244425
• Molecular Formula: C198H126N18SSi4
• Molecular Weight: 2901.72 g/mol
• Exact Mass: 2898.92
• IUPAC Name: 4-(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-undecaen-3-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;15,15-diphenyl-3-(4-phenylquinazolin-2-yl)-3,12,24-triaza-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-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-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
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cnc6c7c(ccc6c54)-c4ccccc4[Si]7(c4ccccc4)c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cnc5c6c(ccc5c43)-c3ccccc3[Si]6(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cnc5c6c(ccc5c43)-c3ccccc3[Si]6(c3ccccc3)c3ccccc3)c3sc4ccccc4c3n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cnc5c6c(cnc5c43)-c3ccccc3[Si]6(c3ccccc3)c3ccccc3)nc3ccccc23)cc1
• InChI: InChI=1S/C55H36N4Si.C49H30N4SSi.C48H31N5Si.C46H29N5Si/c1-5-18-37(19-6-1)48-35-49(38-20-7-2-8-21-38)58-55(57-48)39-22-17-23-40(34-39)59-50-30-15-13-28-43(50)47-36-56-52-46(53(47)59)33-32-45-44-29-14-16-31-51(44)60(54(45)52,41-24-9-3-10-25-41)42-26-11-4-12-27-42;1-4-16-31(17-5-1)48-51-43-37-24-11-14-26-41(37)54-46(43)49(52-48)53-40-25-13-10-22-34(40)39-30-50-44-38(45(39)53)29-28-36-35-23-12-15-27-42(35)55(47(36)44,32-18-6-2-7-19-32)33-20-8-3-9-21-33;1-5-17-32(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;1-4-16-30(17-5-1)41-35-24-10-13-25-38(35)49-46(50-41)51-39-26-14-11-22-33(39)36-28-48-43-42(44(36)51)47-29-37-34-23-12-15-27-40(34)52(45(37)43,31-18-6-2-7-19-31)32-20-8-3-9-21-32/h1-36H;1-30H;1-31H;1-29H
• InChIKey: GFYFYOOOTQQQQT-UHFFFAOYSA-N
• XLogP: 35.90
• TPSA: 200.18 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2901.72
LogP ≤ 5	35.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(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-undecaen-3-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;15,15-diphenyl-3-(4-phenylquinazolin-2-yl)-3,12,24-triaza-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-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-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?

The IUPAC name of 4-(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-undecaen-3-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;15,15-diphenyl-3-(4-phenylquinazolin-2-yl)-3,12,24-triaza-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-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-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 (CID 158244425) is 4-(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-undecaen-3-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;15,15-diphenyl-3-(4-phenylquinazolin-2-yl)-3,12,24-triaza-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-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-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.

What is the SMILES notation for 4-(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-undecaen-3-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;15,15-diphenyl-3-(4-phenylquinazolin-2-yl)-3,12,24-triaza-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-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-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?

The canonical SMILES for 4-(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-undecaen-3-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;15,15-diphenyl-3-(4-phenylquinazolin-2-yl)-3,12,24-triaza-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-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-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 is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cnc6c7c(ccc6c54)-c4ccccc4[Si]7(c4ccccc4)c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cnc5c6c(ccc5c43)-c3ccccc3[Si]6(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cnc5c6c(ccc5c43)-c3ccccc3[Si]6(c3ccccc3)c3ccccc3)c3sc4ccccc4c3n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cnc5c6c(cnc5c43)-c3ccccc3[Si]6(c3ccccc3)c3ccccc3)nc3ccccc23)cc1.

What is the InChIKey of 4-(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-undecaen-3-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;15,15-diphenyl-3-(4-phenylquinazolin-2-yl)-3,12,24-triaza-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-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-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?

The InChIKey is GFYFYOOOTQQQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4Si.C49H30N4SSi.C48H31N5Si.C46H29N5Si/c1-5-18-37(19-6-1)48-35-49(38-20-7-2-8-21-38)58-55(57-48)39-22-17-23-40(34-39)59-50-30-15-13-28-43(50)47-36-56-52-46(53(47)59)33-32-45-44-29-14-16-31-51(44)60(54(45)52,41-24-9-3-10-25-41)42-26-11-4-12-27-42;1-4-16-31(17-5-1)48-51-43-37-24-11-14-26-41(37)54-46(43)49(52-48)53-40-25-13-10-22-34(40)39-30-50-44-38(45(39)53)29-28-36-35-23-12-15-27-42(35)55(47(36)44,32-18-6-2-7-19-32)33-20-8-3-9-21-33;1-5-17-32(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;1-4-16-30(17-5-1)41-35-24-10-13-25-38(35)49-46(50-41)51-39-26-14-11-22-33(39)36-28-48-43-42(44(36)51)47-29-37-34-23-12-15-27-40(34)52(45(37)43,31-18-6-2-7-19-31)32-20-8-3-9-21-32/h1-36H;1-30H;1-31H;1-29H.

What are the key properties of 4-(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-undecaen-3-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;15,15-diphenyl-3-(4-phenylquinazolin-2-yl)-3,12,24-triaza-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-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-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?

4-(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-undecaen-3-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;15,15-diphenyl-3-(4-phenylquinazolin-2-yl)-3,12,24-triaza-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-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-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 2901.72 g/mol, XLogP of 35.90, 19 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(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-undecaen-3-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;15,15-diphenyl-3-(4-phenylquinazolin-2-yl)-3,12,24-triaza-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-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-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 is sourced from PubChem (CID 158244425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).