N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)aniline

C136H92N4OS — CID 158012362

About N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)aniline

N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)aniline (PubChem CID 158012362) has the molecular formula C136H92N4OS and a molecular weight of 1830.33 g/mol. Its IUPAC name is N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
• PubChem CID: 158012362
• Molecular Formula: C136H92N4OS
• Molecular Weight: 1830.33 g/mol
• Exact Mass: 1828.70
• IUPAC Name: N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
• SMILES: C=Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c6ccc(-c7cccc8c7sc7ccccc78)cc6)cc5)cc4)ccc32)cc1.C=Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)cc6)cc5)cc4)ccc32)cc1
• InChI: InChI=1S/C68H46N2O.C68H46N2S/c1-2-46-19-36-59(37-20-46)70-65-17-8-6-13-61(65)64-45-55(35-44-66(64)70)53-23-21-48(22-24-53)51-31-40-57(41-32-51)69(56-38-29-50(30-39-56)47-11-4-3-5-12-47)58-42-33-52(34-43-58)49-25-27-54(28-26-49)60-15-10-16-63-62-14-7-9-18-67(62)71-68(60)63;1-2-46-19-36-59(37-20-46)70-65-17-8-6-13-61(65)64-45-55(35-44-66(64)70)53-27-25-50(26-28-53)52-31-40-57(41-32-52)69(56-38-29-51(30-39-56)49-23-21-48(22-24-49)47-11-4-3-5-12-47)58-42-33-54(34-43-58)60-15-10-16-63-62-14-7-9-18-67(62)71-68(60)63/h2*2-45H,1H2
• InChIKey: FFAVRUIYNDOQJM-UHFFFAOYSA-N
• XLogP: 38.73
• TPSA: 29.48 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1830.33
LogP ≤ 5	38.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)aniline?

The IUPAC name of N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)aniline (CID 158012362) is N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)aniline.

What is the SMILES notation for N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)aniline?

The canonical SMILES for N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)aniline is C=Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c6ccc(-c7cccc8c7sc7ccccc78)cc6)cc5)cc4)ccc32)cc1.C=Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)cc6)cc5)cc4)ccc32)cc1.

What is the InChIKey of N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)aniline?

The InChIKey is FFAVRUIYNDOQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N2O.C68H46N2S/c1-2-46-19-36-59(37-20-46)70-65-17-8-6-13-61(65)64-45-55(35-44-66(64)70)53-23-21-48(22-24-53)51-31-40-57(41-32-51)69(56-38-29-50(30-39-56)47-11-4-3-5-12-47)58-42-33-52(34-43-58)49-25-27-54(28-26-49)60-15-10-16-63-62-14-7-9-18-67(62)71-68(60)63;1-2-46-19-36-59(37-20-46)70-65-17-8-6-13-61(65)64-45-55(35-44-66(64)70)53-27-25-50(26-28-53)52-31-40-57(41-32-52)69(56-38-29-51(30-39-56)49-23-21-48(22-24-49)47-11-4-3-5-12-47)58-42-33-54(34-43-58)60-15-10-16-63-62-14-7-9-18-67(62)71-68(60)63/h2*2-45H,1H2.

What are the key properties of N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)aniline?

N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)aniline has a molecular weight of 1830.33 g/mol, XLogP of 38.73, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 158012362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).