N-(4-dibenzothiophen-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline

C111H72F6N4S — CID 159762340

About N-(4-dibenzothiophen-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline

N-(4-dibenzothiophen-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline (PubChem CID 159762340) has the molecular formula C111H72F6N4S and a molecular weight of 1607.88 g/mol. Its IUPAC name is N-(4-dibenzothiophen-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline.

Molecular Properties

• Compound Name: N-(4-dibenzothiophen-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline
• PubChem CID: 159762340
• Molecular Formula: C111H72F6N4S
• Molecular Weight: 1607.88 g/mol
• Exact Mass: 1606.54
• IUPAC Name: N-(4-dibenzothiophen-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c4ccc(-c5c(F)c(F)c(F)c(F)c5F)cc4)cc3)cc21.Fc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C57H37F5N2.C54H35FN2S/c1-57(2)47-14-8-6-12-43(47)44-30-22-38(33-48(44)57)35-18-26-41(27-19-35)63(42-28-20-36(21-29-42)51-52(58)54(60)56(62)55(61)53(51)59)40-24-16-34(17-25-40)37-23-31-50-46(32-37)45-13-7-9-15-49(45)64(50)39-10-4-3-5-11-39;55-42-24-14-36(15-25-42)37-16-26-44(27-17-37)56(46-30-20-39(21-31-46)41-22-32-49-48-11-5-7-13-53(48)58-54(49)35-41)45-28-18-38(19-29-45)40-23-33-52-50(34-40)47-10-4-6-12-51(47)57(52)43-8-2-1-3-9-43/h3-33H,1-2H3;1-35H
• InChIKey: NFBAVJFWZYOEFX-UHFFFAOYSA-N
• XLogP: 32.02
• TPSA: 16.34 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1607.88
LogP ≤ 5	32.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 N-(4-dibenzothiophen-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline?

The IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline (CID 159762340) is N-(4-dibenzothiophen-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline.

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

The canonical SMILES for N-(4-dibenzothiophen-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c4ccc(-c5c(F)c(F)c(F)c(F)c5F)cc4)cc3)cc21.Fc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.

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

The InChIKey is NFBAVJFWZYOEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37F5N2.C54H35FN2S/c1-57(2)47-14-8-6-12-43(47)44-30-22-38(33-48(44)57)35-18-26-41(27-19-35)63(42-28-20-36(21-29-42)51-52(58)54(60)56(62)55(61)53(51)59)40-24-16-34(17-25-40)37-23-31-50-46(32-37)45-13-7-9-15-49(45)64(50)39-10-4-3-5-11-39;55-42-24-14-36(15-25-42)37-16-26-44(27-17-37)56(46-30-20-39(21-31-46)41-22-32-49-48-11-5-7-13-53(48)58-54(49)35-41)45-28-18-38(19-29-45)40-23-33-52-50(34-40)47-10-4-6-12-51(47)57(52)43-8-2-1-3-9-43/h3-33H,1-2H3;1-35H.

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

N-(4-dibenzothiophen-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline has a molecular weight of 1607.88 g/mol, XLogP of 32.02, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzothiophen-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline is sourced from PubChem (CID 159762340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).