4-[4-[4-[4-[10-[[2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-1,3-benzothiazol-6-yl]oxy]decoxy]phenyl]phenoxy]butyl]-N,N-diphenylaniline;N-(4-bromophenyl)-N-phenyl-4-[6-[8-[4-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]butoxy]phenyl]phenoxy]octoxy]-1,3-benzothiazol-2-yl]aniline;4-(4-formyl-N-[4-[6-[6-[4-(N-phenylanilino)phenoxy]hexoxy]-1,3-benzothiazol-2-yl]phenyl]anilino)benzaldehyde

C195H175Br3N8O10S3 — CID 163685726

About 4-[4-[4-[4-[10-[[2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-1,3-benzothiazol-6-yl]oxy]decoxy]phenyl]phenoxy]butyl]-N,N-diphenylaniline;N-(4-bromophenyl)-N-phenyl-4-[6-[8-[4-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]butoxy]phenyl]phenoxy]octoxy]-1,3-benzothiazol-2-yl]aniline;4-(4-formyl-N-[4-[6-[6-[4-(N-phenylanilino)phenoxy]hexoxy]-1,3-benzothiazol-2-yl]phenyl]anilino)benzaldehyde

4-[4-[4-[4-[10-[[2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-1,3-benzothiazol-6-yl]oxy]decoxy]phenyl]phenoxy]butyl]-N,N-diphenylaniline;N-(4-bromophenyl)-N-phenyl-4-[6-[8-[4-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]butoxy]phenyl]phenoxy]octoxy]-1,3-benzothiazol-2-yl]aniline;4-(4-formyl-N-[4-[6-[6-[4-(N-phenylanilino)phenoxy]hexoxy]-1,3-benzothiazol-2-yl]phenyl]anilino)benzaldehyde (PubChem CID 163685726) has the molecular formula C195H175Br3N8O10S3 and a molecular weight of 3126.50 g/mol. Its IUPAC name is 4-[4-[4-[4-[10-[[2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-1,3-benzothiazol-6-yl]oxy]decoxy]phenyl]phenoxy]butyl]-N,N-diphenylaniline;N-(4-bromophenyl)-N-phenyl-4-[6-[8-[4-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]butoxy]phenyl]phenoxy]octoxy]-1,3-benzothiazol-2-yl]aniline;4-(4-formyl-N-[4-[6-[6-[4-(N-phenylanilino)phenoxy]hexoxy]-1,3-benzothiazol-2-yl]phenyl]anilino)benzaldehyde.

Molecular Properties

• Compound Name: 4-[4-[4-[4-[10-[[2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-1,3-benzothiazol-6-yl]oxy]decoxy]phenyl]phenoxy]butyl]-N,N-diphenylaniline;N-(4-bromophenyl)-N-phenyl-4-[6-[8-[4-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]butoxy]phenyl]phenoxy]octoxy]-1,3-benzothiazol-2-yl]aniline;4-(4-formyl-N-[4-[6-[6-[4-(N-phenylanilino)phenoxy]hexoxy]-1,3-benzothiazol-2-yl]phenyl]anilino)benzaldehyde
• PubChem CID: 163685726
• Molecular Formula: C195H175Br3N8O10S3
• Molecular Weight: 3126.50 g/mol
• Exact Mass: 3121.01
• IUPAC Name: 4-[4-[4-[4-[10-[[2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-1,3-benzothiazol-6-yl]oxy]decoxy]phenyl]phenoxy]butyl]-N,N-diphenylaniline;N-(4-bromophenyl)-N-phenyl-4-[6-[8-[4-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]butoxy]phenyl]phenoxy]octoxy]-1,3-benzothiazol-2-yl]aniline;4-(4-formyl-N-[4-[6-[6-[4-(N-phenylanilino)phenoxy]hexoxy]-1,3-benzothiazol-2-yl]phenyl]anilino)benzaldehyde
• SMILES: Brc1ccc(N(c2ccc(Br)cc2)c2ccc(-c3nc4ccc(OCCCCCCCCCCOc5ccc(-c6ccc(OCCCCc7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5)cc4s3)cc2)cc1.Brc1ccc(N(c2ccccc2)c2ccc(-c3nc4ccc(OCCCCCCCCOc5ccc(-c6ccc(OCCCCc7ccc(C(=C(c8ccccc8)c8ccccc8)c8ccccc8)cc7)cc6)cc5)cc4s3)cc2)cc1.O=Cc1ccc(N(c2ccc(C=O)cc2)c2ccc(-c3nc4ccc(OCCCCCCOc5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4s3)cc2)cc1
• InChI: InChI=1S/C75H67BrN2O3S.C69H65Br2N3O3S.C51H43N3O4S/c76-64-40-44-67(45-41-64)78(65-28-15-8-16-29-65)66-42-34-63(35-43-66)75-77-71-51-50-70(55-72(71)82-75)81-53-19-4-2-1-3-18-52-79-68-46-36-57(37-47-68)58-38-48-69(49-39-58)80-54-20-17-21-56-30-32-62(33-31-56)74(61-26-13-7-14-27-61)73(59-22-9-5-10-23-59)60-24-11-6-12-25-60;70-56-30-38-62(39-31-56)74(63-40-32-57(71)33-41-63)61-36-24-55(25-37-61)69-72-67-47-46-66(51-68(67)78-69)77-49-15-6-4-2-1-3-5-14-48-75-64-42-26-53(27-43-64)54-28-44-65(45-29-54)76-50-16-13-17-52-22-34-60(35-23-52)73(58-18-9-7-10-19-58)59-20-11-8-12-21-59;55-36-38-15-21-43(22-16-38)54(44-23-17-39(37-56)18-24-44)45-25-19-40(20-26-45)51-52-49-32-31-48(35-50(49)59-51)58-34-10-2-1-9-33-57-47-29-27-46(28-30-47)53(41-11-5-3-6-12-41)42-13-7-4-8-14-42/h5-16,22-51,55H,1-4,17-21,52-54H2;7-12,18-47,51H,1-6,13-17,48-50H2;3-8,11-32,35-37H,1-2,9-10,33-34H2
• InChIKey: JORXOTOBCAUZNN-UHFFFAOYSA-N
• XLogP: 55.69
• TPSA: 162.85 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 71
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3126.50
LogP ≤ 5	55.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-[10-[[2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-1,3-benzothiazol-6-yl]oxy]decoxy]phenyl]phenoxy]butyl]-N,N-diphenylaniline;N-(4-bromophenyl)-N-phenyl-4-[6-[8-[4-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]butoxy]phenyl]phenoxy]octoxy]-1,3-benzothiazol-2-yl]aniline;4-(4-formyl-N-[4-[6-[6-[4-(N-phenylanilino)phenoxy]hexoxy]-1,3-benzothiazol-2-yl]phenyl]anilino)benzaldehyde?

The IUPAC name of 4-[4-[4-[4-[10-[[2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-1,3-benzothiazol-6-yl]oxy]decoxy]phenyl]phenoxy]butyl]-N,N-diphenylaniline;N-(4-bromophenyl)-N-phenyl-4-[6-[8-[4-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]butoxy]phenyl]phenoxy]octoxy]-1,3-benzothiazol-2-yl]aniline;4-(4-formyl-N-[4-[6-[6-[4-(N-phenylanilino)phenoxy]hexoxy]-1,3-benzothiazol-2-yl]phenyl]anilino)benzaldehyde (CID 163685726) is 4-[4-[4-[4-[10-[[2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-1,3-benzothiazol-6-yl]oxy]decoxy]phenyl]phenoxy]butyl]-N,N-diphenylaniline;N-(4-bromophenyl)-N-phenyl-4-[6-[8-[4-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]butoxy]phenyl]phenoxy]octoxy]-1,3-benzothiazol-2-yl]aniline;4-(4-formyl-N-[4-[6-[6-[4-(N-phenylanilino)phenoxy]hexoxy]-1,3-benzothiazol-2-yl]phenyl]anilino)benzaldehyde.

What is the SMILES notation for 4-[4-[4-[4-[10-[[2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-1,3-benzothiazol-6-yl]oxy]decoxy]phenyl]phenoxy]butyl]-N,N-diphenylaniline;N-(4-bromophenyl)-N-phenyl-4-[6-[8-[4-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]butoxy]phenyl]phenoxy]octoxy]-1,3-benzothiazol-2-yl]aniline;4-(4-formyl-N-[4-[6-[6-[4-(N-phenylanilino)phenoxy]hexoxy]-1,3-benzothiazol-2-yl]phenyl]anilino)benzaldehyde?

The canonical SMILES for 4-[4-[4-[4-[10-[[2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-1,3-benzothiazol-6-yl]oxy]decoxy]phenyl]phenoxy]butyl]-N,N-diphenylaniline;N-(4-bromophenyl)-N-phenyl-4-[6-[8-[4-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]butoxy]phenyl]phenoxy]octoxy]-1,3-benzothiazol-2-yl]aniline;4-(4-formyl-N-[4-[6-[6-[4-(N-phenylanilino)phenoxy]hexoxy]-1,3-benzothiazol-2-yl]phenyl]anilino)benzaldehyde is Brc1ccc(N(c2ccc(Br)cc2)c2ccc(-c3nc4ccc(OCCCCCCCCCCOc5ccc(-c6ccc(OCCCCc7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5)cc4s3)cc2)cc1.Brc1ccc(N(c2ccccc2)c2ccc(-c3nc4ccc(OCCCCCCCCOc5ccc(-c6ccc(OCCCCc7ccc(C(=C(c8ccccc8)c8ccccc8)c8ccccc8)cc7)cc6)cc5)cc4s3)cc2)cc1.O=Cc1ccc(N(c2ccc(C=O)cc2)c2ccc(-c3nc4ccc(OCCCCCCOc5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4s3)cc2)cc1.

What is the InChIKey of 4-[4-[4-[4-[10-[[2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-1,3-benzothiazol-6-yl]oxy]decoxy]phenyl]phenoxy]butyl]-N,N-diphenylaniline;N-(4-bromophenyl)-N-phenyl-4-[6-[8-[4-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]butoxy]phenyl]phenoxy]octoxy]-1,3-benzothiazol-2-yl]aniline;4-(4-formyl-N-[4-[6-[6-[4-(N-phenylanilino)phenoxy]hexoxy]-1,3-benzothiazol-2-yl]phenyl]anilino)benzaldehyde?

The InChIKey is JORXOTOBCAUZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H67BrN2O3S.C69H65Br2N3O3S.C51H43N3O4S/c76-64-40-44-67(45-41-64)78(65-28-15-8-16-29-65)66-42-34-63(35-43-66)75-77-71-51-50-70(55-72(71)82-75)81-53-19-4-2-1-3-18-52-79-68-46-36-57(37-47-68)58-38-48-69(49-39-58)80-54-20-17-21-56-30-32-62(33-31-56)74(61-26-13-7-14-27-61)73(59-22-9-5-10-23-59)60-24-11-6-12-25-60;70-56-30-38-62(39-31-56)74(63-40-32-57(71)33-41-63)61-36-24-55(25-37-61)69-72-67-47-46-66(51-68(67)78-69)77-49-15-6-4-2-1-3-5-14-48-75-64-42-26-53(27-43-64)54-28-44-65(45-29-54)76-50-16-13-17-52-22-34-60(35-23-52)73(58-18-9-7-10-19-58)59-20-11-8-12-21-59;55-36-38-15-21-43(22-16-38)54(44-23-17-39(37-56)18-24-44)45-25-19-40(20-26-45)51-52-49-32-31-48(35-50(49)59-51)58-34-10-2-1-9-33-57-47-29-27-46(28-30-47)53(41-11-5-3-6-12-41)42-13-7-4-8-14-42/h5-16,22-51,55H,1-4,17-21,52-54H2;7-12,18-47,51H,1-6,13-17,48-50H2;3-8,11-32,35-37H,1-2,9-10,33-34H2.

What are the key properties of 4-[4-[4-[4-[10-[[2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-1,3-benzothiazol-6-yl]oxy]decoxy]phenyl]phenoxy]butyl]-N,N-diphenylaniline;N-(4-bromophenyl)-N-phenyl-4-[6-[8-[4-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]butoxy]phenyl]phenoxy]octoxy]-1,3-benzothiazol-2-yl]aniline;4-(4-formyl-N-[4-[6-[6-[4-(N-phenylanilino)phenoxy]hexoxy]-1,3-benzothiazol-2-yl]phenyl]anilino)benzaldehyde?

4-[4-[4-[4-[10-[[2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-1,3-benzothiazol-6-yl]oxy]decoxy]phenyl]phenoxy]butyl]-N,N-diphenylaniline;N-(4-bromophenyl)-N-phenyl-4-[6-[8-[4-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]butoxy]phenyl]phenoxy]octoxy]-1,3-benzothiazol-2-yl]aniline;4-(4-formyl-N-[4-[6-[6-[4-(N-phenylanilino)phenoxy]hexoxy]-1,3-benzothiazol-2-yl]phenyl]anilino)benzaldehyde has a molecular weight of 3126.50 g/mol, XLogP of 55.69, 71 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-[4-[10-[[2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-1,3-benzothiazol-6-yl]oxy]decoxy]phenyl]phenoxy]butyl]-N,N-diphenylaniline;N-(4-bromophenyl)-N-phenyl-4-[6-[8-[4-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]butoxy]phenyl]phenoxy]octoxy]-1,3-benzothiazol-2-yl]aniline;4-(4-formyl-N-[4-[6-[6-[4-(N-phenylanilino)phenoxy]hexoxy]-1,3-benzothiazol-2-yl]phenyl]anilino)benzaldehyde is sourced from PubChem (CID 163685726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).