2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-thiadiazole;5-[4-[5-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-thiadiazol-2-yl]phenyl]carbazol-3-amine

C214H161N21OS2Si4 — CID 158023970

About 2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-thiadiazole;5-[4-[5-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-thiadiazol-2-yl]phenyl]carbazol-3-amine

2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-thiadiazole;5-[4-[5-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-thiadiazol-2-yl]phenyl]carbazol-3-amine (PubChem CID 158023970) has the molecular formula C214H161N21OS2Si4 and a molecular weight of 3219.27 g/mol. Its IUPAC name is 2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-thiadiazole;5-[4-[5-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-thiadiazol-2-yl]phenyl]carbazol-3-amine.

Molecular Properties

• Compound Name: 2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-thiadiazole;5-[4-[5-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-thiadiazol-2-yl]phenyl]carbazol-3-amine
• PubChem CID: 158023970
• Molecular Formula: C214H161N21OS2Si4
• Molecular Weight: 3219.27 g/mol
• Exact Mass: 3216.17
• IUPAC Name: 2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-thiadiazole;5-[4-[5-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-thiadiazol-2-yl]phenyl]carbazol-3-amine
• SMILES: C[Si]1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4)n3-c3ccccc3)cc2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4)s3)cc2)c2ccccc21.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nnc(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)o3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nnc(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)s3)cc2)cc1
• InChI: InChI=1S/C62H42N6O.C62H42N6S.C48H41N5Si2.C42H36N4SSi2/c2*1-5-17-45(18-6-1)65(46-19-7-2-8-20-46)51-37-39-59-55(41-51)53-25-13-15-27-57(53)67(59)49-33-29-43(30-34-49)61-63-64-62(69-61)44-31-35-50(36-32-44)68-58-28-16-14-26-54(58)56-42-52(38-40-60(56)68)66(47-21-9-3-10-22-47)48-23-11-4-12-24-48;1-54(2)43-22-12-8-18-39(43)51(40-19-9-13-23-44(40)54)37-30-26-34(27-31-37)47-49-50-48(53(47)36-16-6-5-7-17-36)35-28-32-38(33-29-35)52-41-20-10-14-24-45(41)55(3,4)46-25-15-11-21-42(46)52;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/h2*1-42H;5-33H,1-4H3;5-28H,1-4H3
• InChIKey: FGJVQSJVHRJVGU-UHFFFAOYSA-N
• XLogP: 52.44
• TPSA: 166.83 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3219.27
LogP ≤ 5	52.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

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-thiadiazole;5-[4-[5-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-thiadiazol-2-yl]phenyl]carbazol-3-amine?

The IUPAC name of 2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-thiadiazole;5-[4-[5-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-thiadiazol-2-yl]phenyl]carbazol-3-amine (CID 158023970) is 2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-thiadiazole;5-[4-[5-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-thiadiazol-2-yl]phenyl]carbazol-3-amine.

What is the SMILES notation for 2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-thiadiazole;5-[4-[5-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-thiadiazol-2-yl]phenyl]carbazol-3-amine?

The canonical SMILES for 2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-thiadiazole;5-[4-[5-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-thiadiazol-2-yl]phenyl]carbazol-3-amine is C[Si]1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4)n3-c3ccccc3)cc2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4)s3)cc2)c2ccccc21.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nnc(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)o3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nnc(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)s3)cc2)cc1.

What is the InChIKey of 2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-thiadiazole;5-[4-[5-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-thiadiazol-2-yl]phenyl]carbazol-3-amine?

The InChIKey is FGJVQSJVHRJVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N6O.C62H42N6S.C48H41N5Si2.C42H36N4SSi2/c2*1-5-17-45(18-6-1)65(46-19-7-2-8-20-46)51-37-39-59-55(41-51)53-25-13-15-27-57(53)67(59)49-33-29-43(30-34-49)61-63-64-62(69-61)44-31-35-50(36-32-44)68-58-28-16-14-26-54(58)56-42-52(38-40-60(56)68)66(47-21-9-3-10-22-47)48-23-11-4-12-24-48;1-54(2)43-22-12-8-18-39(43)51(40-19-9-13-23-44(40)54)37-30-26-34(27-31-37)47-49-50-48(53(47)36-16-6-5-7-17-36)35-28-32-38(33-29-35)52-41-20-10-14-24-45(41)55(3,4)46-25-15-11-21-42(46)52;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/h2*1-42H;5-33H,1-4H3;5-28H,1-4H3.

What are the key properties of 2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-thiadiazole;5-[4-[5-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-thiadiazol-2-yl]phenyl]carbazol-3-amine?

2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-thiadiazole;5-[4-[5-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-thiadiazol-2-yl]phenyl]carbazol-3-amine has a molecular weight of 3219.27 g/mol, XLogP of 52.44, 29 rotatable bonds, 0 hydrogen bond donors, and 24 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-thiadiazole;5-[4-[5-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,4-thiadiazol-2-yl]phenyl]carbazol-3-amine is sourced from PubChem (CID 158023970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).