2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3-benzothiazole;2-[3-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-1,3-benzothiazole;2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline

C212H151N15OS2Si5 — CID 159226500

IUPAC2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3-benzothiazole;2-[3-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-1,3-benzothiazole;2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline
SMILESc1ccc(-c2nnc(-c3ccccc3)n2-c2ccccc2-c2ccccc2N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1.c1ccc(-c2nnc(-c3ccccc3N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)n2-c2ccccc2)cc1.c1ccc(-c2nnc(-c3ccccc3N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)o2)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3ccccc3-c3cccc(-c4nc5ccccc5s4)c3)c3ccccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3ccccc3-c3nc4ccccc4s3)c3ccccc32)cc1
InChIInChI=1S/C50H36N4Si.C44H32N4Si.C43H30N2SSi.C38H27N3OSi.C37H26N2SSi/c1-5-21-37(22-6-1)49-51-52-50(38-23-7-2-8-24-38)54(49)44-32-16-14-30-42(44)41-29-13-15-31-43(41)53-45-33-17-19-35-47(45)55(39-25-9-3-10-26-39,40-27-11-4-12-28-40)48-36-20-18-34-46(48)53;1-5-19-33(20-6-1)43-45-46-44(47(43)34-21-7-2-8-22-34)37-27-13-14-28-38(37)48-39-29-15-17-31-41(39)49(35-23-9-3-10-24-35,36-25-11-4-12-26-36)42-32-18-16-30-40(42)48;1-3-18-33(19-4-1)47(34-20-5-2-6-21-34)41-28-13-10-25-38(41)45(39-26-11-14-29-42(39)47)37-24-9-7-22-35(37)31-16-15-17-32(30-31)43-44-36-23-8-12-27-40(36)46-43;1-4-16-28(17-5-1)37-39-40-38(42-37)31-22-10-11-23-32(31)41-33-24-12-14-26-35(33)43(29-18-6-2-7-19-29,30-20-8-3-9-21-30)36-27-15-13-25-34(36)41;1-3-15-27(16-4-1)41(28-17-5-2-6-18-28)35-25-13-10-22-32(35)39(33-23-11-14-26-36(33)41)31-21-9-7-19-29(31)37-38-30-20-8-12-24-34(30)40-37/h1-36H;1-32H;1-30H;1-27H;1-26H
InChIKeyKSIUFWXHXXCHCZ-UHFFFAOYSA-N
MW3129.21 g/mol
LogP39.67
Rot. Bonds27

About 2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3-benzothiazole;2-[3-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-1,3-benzothiazole;2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline

2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3-benzothiazole;2-[3-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-1,3-benzothiazole;2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline (PubChem CID 159226500) has the molecular formula C212H151N15OS2Si5 and a molecular weight of 3129.21 g/mol. Its IUPAC name is 2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3-benzothiazole;2-[3-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-1,3-benzothiazole;2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3-benzothiazole;2-[3-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-1,3-benzothiazole;2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline
PubChem CID159226500
Molecular FormulaC212H151N15OS2Si5
Molecular Weight3129.21 g/mol
Exact Mass3126.05
IUPAC Name2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3-benzothiazole;2-[3-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-1,3-benzothiazole;2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline
SMILESc1ccc(-c2nnc(-c3ccccc3)n2-c2ccccc2-c2ccccc2N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1.c1ccc(-c2nnc(-c3ccccc3N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)n2-c2ccccc2)cc1.c1ccc(-c2nnc(-c3ccccc3N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)o2)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3ccccc3-c3cccc(-c4nc5ccccc5s4)c3)c3ccccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3ccccc3-c3nc4ccccc4s3)c3ccccc32)cc1
InChIInChI=1S/C50H36N4Si.C44H32N4Si.C43H30N2SSi.C38H27N3OSi.C37H26N2SSi/c1-5-21-37(22-6-1)49-51-52-50(38-23-7-2-8-24-38)54(49)44-32-16-14-30-42(44)41-29-13-15-31-43(41)53-45-33-17-19-35-47(45)55(39-25-9-3-10-26-39,40-27-11-4-12-28-40)48-36-20-18-34-46(48)53;1-5-19-33(20-6-1)43-45-46-44(47(43)34-21-7-2-8-22-34)37-27-13-14-28-38(37)48-39-29-15-17-31-41(39)49(35-23-9-3-10-24-35,36-25-11-4-12-26-36)42-32-18-16-30-40(42)48;1-3-18-33(19-4-1)47(34-20-5-2-6-21-34)41-28-13-10-25-38(41)45(39-26-11-14-29-42(39)47)37-24-9-7-22-35(37)31-16-15-17-32(30-31)43-44-36-23-8-12-27-40(36)46-43;1-4-16-28(17-5-1)37-39-40-38(42-37)31-22-10-11-23-32(31)41-33-24-12-14-26-35(33)43(29-18-6-2-7-19-29,30-20-8-3-9-21-30)36-27-15-13-25-34(36)41;1-3-15-27(16-4-1)41(28-17-5-2-6-18-28)35-25-13-10-22-32(35)39(33-23-11-14-26-36(33)41)31-21-9-7-19-29(31)37-38-30-20-8-12-24-34(30)40-37/h1-36H;1-32H;1-30H;1-27H;1-26H
InChIKeyKSIUFWXHXXCHCZ-UHFFFAOYSA-N
XLogP39.67
TPSA142.32 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds27
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003129.21
LogP ≤ 539.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3-benzothiazole;2-[3-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-1,3-benzothiazole;2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3-benzothiazole;2-[3-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-1,3-benzothiazole;2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline?
The IUPAC name of 2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3-benzothiazole;2-[3-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-1,3-benzothiazole;2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline (CID 159226500) is 2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3-benzothiazole;2-[3-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-1,3-benzothiazole;2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline.
What is the SMILES notation for 2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3-benzothiazole;2-[3-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-1,3-benzothiazole;2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline?
The canonical SMILES for 2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3-benzothiazole;2-[3-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-1,3-benzothiazole;2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline is c1ccc(-c2nnc(-c3ccccc3)n2-c2ccccc2-c2ccccc2N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1.c1ccc(-c2nnc(-c3ccccc3N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)n2-c2ccccc2)cc1.c1ccc(-c2nnc(-c3ccccc3N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)o2)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3ccccc3-c3cccc(-c4nc5ccccc5s4)c3)c3ccccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3ccccc3-c3nc4ccccc4s3)c3ccccc32)cc1.
What is the InChIKey of 2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3-benzothiazole;2-[3-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-1,3-benzothiazole;2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline?
The InChIKey is KSIUFWXHXXCHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N4Si.C44H32N4Si.C43H30N2SSi.C38H27N3OSi.C37H26N2SSi/c1-5-21-37(22-6-1)49-51-52-50(38-23-7-2-8-24-38)54(49)44-32-16-14-30-42(44)41-29-13-15-31-43(41)53-45-33-17-19-35-47(45)55(39-25-9-3-10-26-39,40-27-11-4-12-28-40)48-36-20-18-34-46(48)53;1-5-19-33(20-6-1)43-45-46-44(47(43)34-21-7-2-8-22-34)37-27-13-14-28-38(37)48-39-29-15-17-31-41(39)49(35-23-9-3-10-24-35,36-25-11-4-12-26-36)42-32-18-16-30-40(42)48;1-3-18-33(19-4-1)47(34-20-5-2-6-21-34)41-28-13-10-25-38(41)45(39-26-11-14-29-42(39)47)37-24-9-7-22-35(37)31-16-15-17-32(30-31)43-44-36-23-8-12-27-40(36)46-43;1-4-16-28(17-5-1)37-39-40-38(42-37)31-22-10-11-23-32(31)41-33-24-12-14-26-35(33)43(29-18-6-2-7-19-29,30-20-8-3-9-21-30)36-27-15-13-25-34(36)41;1-3-15-27(16-4-1)41(28-17-5-2-6-18-28)35-25-13-10-22-32(35)39(33-23-11-14-26-36(33)41)31-21-9-7-19-29(31)37-38-30-20-8-12-24-34(30)40-37/h1-36H;1-32H;1-30H;1-27H;1-26H.
What are the key properties of 2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3-benzothiazole;2-[3-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-1,3-benzothiazole;2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline?
2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3-benzothiazole;2-[3-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-1,3-benzothiazole;2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline has a molecular weight of 3129.21 g/mol, XLogP of 39.67, 27 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3-benzothiazole;2-[3-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-1,3-benzothiazole;2-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 159226500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).