N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenyl)aniline

C179H119N3OS2 — CID 158195164

About N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenyl)aniline

N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenyl)aniline (PubChem CID 158195164) has the molecular formula C179H119N3OS2 and a molecular weight of 2392.07 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenyl)aniline
• PubChem CID: 158195164
• Molecular Formula: C179H119N3OS2
• Molecular Weight: 2392.07 g/mol
• Exact Mass: 2389.88
• IUPAC Name: N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.c1ccc(C2(c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C61H41NS.C59H39NO.C59H39NS/c1-3-16-42(17-4-1)50-20-7-8-21-51(50)43-30-36-47(37-31-43)62(48-38-32-44(33-39-48)52-25-15-26-56-55-24-11-14-29-59(55)63-60(52)56)49-40-34-46(35-41-49)61(45-18-5-2-6-19-45)57-27-12-9-22-53(57)54-23-10-13-28-58(54)61;2*1-2-16-43(17-3-1)59(55-25-9-6-19-51(55)52-20-7-10-26-56(52)59)44-32-38-47(39-33-44)60(45-34-28-41(29-35-45)49-22-12-15-40-14-4-5-18-48(40)49)46-36-30-42(31-37-46)50-23-13-24-54-53-21-8-11-27-57(53)61-58(50)54/h1-41H;2*1-39H
• InChIKey: GAGDLQWCIHHZNS-UHFFFAOYSA-N
• XLogP: 49.17
• TPSA: 22.86 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 22
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2392.07
LogP ≤ 5	49.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenyl)aniline?

The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenyl)aniline (CID 158195164) is N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenyl)aniline.

What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenyl)aniline?

The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenyl)aniline is c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.c1ccc(C2(c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenyl)aniline?

The InChIKey is GAGDLQWCIHHZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NS.C59H39NO.C59H39NS/c1-3-16-42(17-4-1)50-20-7-8-21-51(50)43-30-36-47(37-31-43)62(48-38-32-44(33-39-48)52-25-15-26-56-55-24-11-14-29-59(55)63-60(52)56)49-40-34-46(35-41-49)61(45-18-5-2-6-19-45)57-27-12-9-22-53(57)54-23-10-13-28-58(54)61;2*1-2-16-43(17-3-1)59(55-25-9-6-19-51(55)52-20-7-10-26-56(52)59)44-32-38-47(39-33-44)60(45-34-28-41(29-35-45)49-22-12-15-40-14-4-5-18-48(40)49)46-36-30-42(31-37-46)50-23-13-24-54-53-21-8-11-27-57(53)61-58(50)54/h1-41H;2*1-39H.

What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenyl)aniline?

N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenyl)aniline has a molecular weight of 2392.07 g/mol, XLogP of 49.17, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenyl)aniline is sourced from PubChem (CID 158195164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).