4-[4-[4-(1-benzothiophen-3-yl)anilino]phenyl]-N-[4-(1-benzothiophen-3-yl)phenyl]aniline;4-bromo-N,N-diphenylaniline;4-(4-bromophenyl)-N,N-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C118H86Br3N5S2 — CID 161306184

About 4-[4-[4-(1-benzothiophen-3-yl)anilino]phenyl]-N-[4-(1-benzothiophen-3-yl)phenyl]aniline;4-bromo-N,N-diphenylaniline;4-(4-bromophenyl)-N,N-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

4-[4-[4-(1-benzothiophen-3-yl)anilino]phenyl]-N-[4-(1-benzothiophen-3-yl)phenyl]aniline;4-bromo-N,N-diphenylaniline;4-(4-bromophenyl)-N,N-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 161306184) has the molecular formula C118H86Br3N5S2 and a molecular weight of 1877.87 g/mol. Its IUPAC name is 4-[4-[4-(1-benzothiophen-3-yl)anilino]phenyl]-N-[4-(1-benzothiophen-3-yl)phenyl]aniline;4-bromo-N,N-diphenylaniline;4-(4-bromophenyl)-N,N-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: 4-[4-[4-(1-benzothiophen-3-yl)anilino]phenyl]-N-[4-(1-benzothiophen-3-yl)phenyl]aniline;4-bromo-N,N-diphenylaniline;4-(4-bromophenyl)-N,N-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• PubChem CID: 161306184
• Molecular Formula: C118H86Br3N5S2
• Molecular Weight: 1877.87 g/mol
• Exact Mass: 1873.39
• IUPAC Name: 4-[4-[4-(1-benzothiophen-3-yl)anilino]phenyl]-N-[4-(1-benzothiophen-3-yl)phenyl]aniline;4-bromo-N,N-diphenylaniline;4-(4-bromophenyl)-N,N-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• SMILES: Brc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.Brc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.Brc1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc2c(-c3ccc(Nc4ccc(-c5ccc(Nc6ccc(-c7csc8ccccc78)cc6)cc5)cc4)cc3)csc2c1
• InChI: InChI=1S/C40H28N2S2.C36H26BrN.C24H18BrN.C18H14BrN/c1-3-7-39-35(5-1)37(25-43-39)29-13-21-33(22-14-29)41-31-17-9-27(10-18-31)28-11-19-32(20-12-28)42-34-23-15-30(16-24-34)38-26-44-40-8-4-2-6-36(38)40;37-33-19-11-29(12-20-33)32-17-25-36(26-18-32)38(34-21-13-30(14-22-34)27-7-3-1-4-8-27)35-23-15-31(16-24-35)28-9-5-2-6-10-28;25-21-15-11-19(12-16-21)20-13-17-24(18-14-20)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-26,41-42H;1-26H;1-18H;1-14H
• InChIKey: VIGTWRAOSPTIQT-UHFFFAOYSA-N
• XLogP: 37.03
• TPSA: 33.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 20
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1877.87
LogP ≤ 5	37.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(1-benzothiophen-3-yl)anilino]phenyl]-N-[4-(1-benzothiophen-3-yl)phenyl]aniline;4-bromo-N,N-diphenylaniline;4-(4-bromophenyl)-N,N-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The IUPAC name of 4-[4-[4-(1-benzothiophen-3-yl)anilino]phenyl]-N-[4-(1-benzothiophen-3-yl)phenyl]aniline;4-bromo-N,N-diphenylaniline;4-(4-bromophenyl)-N,N-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 161306184) is 4-[4-[4-(1-benzothiophen-3-yl)anilino]phenyl]-N-[4-(1-benzothiophen-3-yl)phenyl]aniline;4-bromo-N,N-diphenylaniline;4-(4-bromophenyl)-N,N-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

What is the SMILES notation for 4-[4-[4-(1-benzothiophen-3-yl)anilino]phenyl]-N-[4-(1-benzothiophen-3-yl)phenyl]aniline;4-bromo-N,N-diphenylaniline;4-(4-bromophenyl)-N,N-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The canonical SMILES for 4-[4-[4-(1-benzothiophen-3-yl)anilino]phenyl]-N-[4-(1-benzothiophen-3-yl)phenyl]aniline;4-bromo-N,N-diphenylaniline;4-(4-bromophenyl)-N,N-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is Brc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.Brc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.Brc1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc2c(-c3ccc(Nc4ccc(-c5ccc(Nc6ccc(-c7csc8ccccc78)cc6)cc5)cc4)cc3)csc2c1.

What is the InChIKey of 4-[4-[4-(1-benzothiophen-3-yl)anilino]phenyl]-N-[4-(1-benzothiophen-3-yl)phenyl]aniline;4-bromo-N,N-diphenylaniline;4-(4-bromophenyl)-N,N-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The InChIKey is VIGTWRAOSPTIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2S2.C36H26BrN.C24H18BrN.C18H14BrN/c1-3-7-39-35(5-1)37(25-43-39)29-13-21-33(22-14-29)41-31-17-9-27(10-18-31)28-11-19-32(20-12-28)42-34-23-15-30(16-24-34)38-26-44-40-8-4-2-6-36(38)40;37-33-19-11-29(12-20-33)32-17-25-36(26-18-32)38(34-21-13-30(14-22-34)27-7-3-1-4-8-27)35-23-15-31(16-24-35)28-9-5-2-6-10-28;25-21-15-11-19(12-16-21)20-13-17-24(18-14-20)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-26,41-42H;1-26H;1-18H;1-14H.

What are the key properties of 4-[4-[4-(1-benzothiophen-3-yl)anilino]phenyl]-N-[4-(1-benzothiophen-3-yl)phenyl]aniline;4-bromo-N,N-diphenylaniline;4-(4-bromophenyl)-N,N-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

4-[4-[4-(1-benzothiophen-3-yl)anilino]phenyl]-N-[4-(1-benzothiophen-3-yl)phenyl]aniline;4-bromo-N,N-diphenylaniline;4-(4-bromophenyl)-N,N-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 1877.87 g/mol, XLogP of 37.03, 20 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-(1-benzothiophen-3-yl)anilino]phenyl]-N-[4-(1-benzothiophen-3-yl)phenyl]aniline;4-bromo-N,N-diphenylaniline;4-(4-bromophenyl)-N,N-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 161306184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).