4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-4-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-fluorophenyl)-4-phenylaniline

C150H94F8N6S3 — CID 162096392

About 4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-4-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-fluorophenyl)-4-phenylaniline

4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-4-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-fluorophenyl)-4-phenylaniline (PubChem CID 162096392) has the molecular formula C150H94F8N6S3 and a molecular weight of 2228.63 g/mol. Its IUPAC name is 4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-4-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-fluorophenyl)-4-phenylaniline.

Molecular Properties

• Compound Name: 4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-4-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-fluorophenyl)-4-phenylaniline
• PubChem CID: 162096392
• Molecular Formula: C150H94F8N6S3
• Molecular Weight: 2228.63 g/mol
• Exact Mass: 2226.66
• IUPAC Name: 4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-4-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-fluorophenyl)-4-phenylaniline
• SMILES: Fc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc(-c6cc7ccccc7s6)ccc4n5-c4ccccc4)cc3)c3ccc(-c4c(F)c(F)c(F)c(F)c4F)cc3)cc2)cc1.Fc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(c3)c3cc(-c5cc6ccccc6s5)ccc3n4-c3ccccc3)cc2)cc1.Fc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(-c5cc6ccccc6s5)ccc3n4-c3ccccc3)cc2)cc1
• InChI: InChI=1S/C56H32F6N2S.C50H33FN2S.C44H29FN2S/c57-40-20-10-33(11-21-40)34-12-22-42(23-13-34)63(44-26-16-36(17-27-44)51-52(58)54(60)56(62)55(61)53(51)59)43-24-14-35(15-25-43)37-18-28-47-45(30-37)46-31-39(50-32-38-6-4-5-9-49(38)65-50)19-29-48(46)64(47)41-7-2-1-3-8-41;51-40-21-27-44(28-22-40)52(42-23-15-35(16-24-42)34-9-3-1-4-10-34)43-25-17-36(18-26-43)37-19-29-47-45(31-37)46-32-39(50-33-38-11-7-8-14-49(38)54-50)20-30-48(46)53(47)41-12-5-2-6-13-41;45-34-19-23-38(24-20-34)46(35-10-3-1-4-11-35)37-21-15-30(16-22-37)31-17-25-41-39(27-31)40-28-33(44-29-32-9-7-8-14-43(32)48-44)18-26-42(40)47(41)36-12-5-2-6-13-36/h1-32H;1-33H;1-29H
• InChIKey: ZEHOIXYAJNGQIJ-UHFFFAOYSA-N
• XLogP: 44.52
• TPSA: 24.51 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 21
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2228.63
LogP ≤ 5	44.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-4-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-fluorophenyl)-4-phenylaniline?

The IUPAC name of 4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-4-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-fluorophenyl)-4-phenylaniline (CID 162096392) is 4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-4-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-fluorophenyl)-4-phenylaniline.

What is the SMILES notation for 4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-4-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-fluorophenyl)-4-phenylaniline?

The canonical SMILES for 4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-4-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-fluorophenyl)-4-phenylaniline is Fc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc(-c6cc7ccccc7s6)ccc4n5-c4ccccc4)cc3)c3ccc(-c4c(F)c(F)c(F)c(F)c4F)cc3)cc2)cc1.Fc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(c3)c3cc(-c5cc6ccccc6s5)ccc3n4-c3ccccc3)cc2)cc1.Fc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(-c5cc6ccccc6s5)ccc3n4-c3ccccc3)cc2)cc1.

What is the InChIKey of 4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-4-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-fluorophenyl)-4-phenylaniline?

The InChIKey is ZEHOIXYAJNGQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32F6N2S.C50H33FN2S.C44H29FN2S/c57-40-20-10-33(11-21-40)34-12-22-42(23-13-34)63(44-26-16-36(17-27-44)51-52(58)54(60)56(62)55(61)53(51)59)43-24-14-35(15-25-43)37-18-28-47-45(30-37)46-31-39(50-32-38-6-4-5-9-49(38)65-50)19-29-48(46)64(47)41-7-2-1-3-8-41;51-40-21-27-44(28-22-40)52(42-23-15-35(16-24-42)34-9-3-1-4-10-34)43-25-17-36(18-26-43)37-19-29-47-45(31-37)46-32-39(50-33-38-11-7-8-14-49(38)54-50)20-30-48(46)53(47)41-12-5-2-6-13-41;45-34-19-23-38(24-20-34)46(35-10-3-1-4-11-35)37-21-15-30(16-22-37)31-17-25-41-39(27-31)40-28-33(44-29-32-9-7-8-14-43(32)48-44)18-26-42(40)47(41)36-12-5-2-6-13-36/h1-32H;1-33H;1-29H.

What are the key properties of 4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-4-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-fluorophenyl)-4-phenylaniline?

4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-4-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-fluorophenyl)-4-phenylaniline has a molecular weight of 2228.63 g/mol, XLogP of 44.52, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-4-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-[6-(1-benzothiophen-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-fluorophenyl)-4-phenylaniline is sourced from PubChem (CID 162096392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).