N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[4-[4-(4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]dibenzothiophen-1-yl]phenyl]phenyl]-4-phenylaniline

C96H60N2OS3 — CID 170278959

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[4-[4-(4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]dibenzothiophen-1-yl]phenyl]phenyl]-4-phenylaniline

N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[4-[4-(4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]dibenzothiophen-1-yl]phenyl]phenyl]-4-phenylaniline (PubChem CID 170278959) has the molecular formula C96H60N2OS3 and a molecular weight of 1353.75 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[4-[4-(4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]dibenzothiophen-1-yl]phenyl]phenyl]-4-phenylaniline.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[4-[4-(4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]dibenzothiophen-1-yl]phenyl]phenyl]-4-phenylaniline
• PubChem CID: 170278959
• Molecular Formula: C96H60N2OS3
• Molecular Weight: 1353.75 g/mol
• Exact Mass: 1352.39
• IUPAC Name: N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[4-[4-(4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]dibenzothiophen-1-yl]phenyl]phenyl]-4-phenylaniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc(-c6ccc(N(c7ccc(-c8cccc9c8sc8ccccc89)cc7)c7ccc(-c8cccc9c8sc8ccccc89)cc7)cc6)c6sc7ccccc7c56)c4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1
• InChI: InChI=1S/C96H60N2OS3/c1-2-16-61(17-3-1)62-34-46-70(47-35-62)97(72-50-38-64(39-51-72)77-24-13-27-84-81-20-4-8-30-88(81)99-93(77)84)71-48-36-63(37-49-71)68-18-12-19-69(60-68)76-58-59-80(96-92(76)87-23-7-11-33-91(87)102-96)67-44-56-75(57-45-67)98(73-52-40-65(41-53-73)78-25-14-28-85-82-21-5-9-31-89(82)100-94(78)85)74-54-42-66(43-55-74)79-26-15-29-86-83-22-6-10-32-90(83)101-95(79)86/h1-60H
• InChIKey: FQYFTWULPRKWNQ-UHFFFAOYSA-N
• XLogP: 29.30
• TPSA: 19.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1353.75
LogP ≤ 5	29.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[4-[4-(4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]dibenzothiophen-1-yl]phenyl]phenyl]-4-phenylaniline?

The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[4-[4-(4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]dibenzothiophen-1-yl]phenyl]phenyl]-4-phenylaniline (CID 170278959) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[4-[4-(4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]dibenzothiophen-1-yl]phenyl]phenyl]-4-phenylaniline.

What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[4-[4-(4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]dibenzothiophen-1-yl]phenyl]phenyl]-4-phenylaniline?

The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[4-[4-(4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]dibenzothiophen-1-yl]phenyl]phenyl]-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc(-c6ccc(N(c7ccc(-c8cccc9c8sc8ccccc89)cc7)c7ccc(-c8cccc9c8sc8ccccc89)cc7)cc6)c6sc7ccccc7c56)c4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.

What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[4-[4-(4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]dibenzothiophen-1-yl]phenyl]phenyl]-4-phenylaniline?

The InChIKey is FQYFTWULPRKWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H60N2OS3/c1-2-16-61(17-3-1)62-34-46-70(47-35-62)97(72-50-38-64(39-51-72)77-24-13-27-84-81-20-4-8-30-88(81)99-93(77)84)71-48-36-63(37-49-71)68-18-12-19-69(60-68)76-58-59-80(96-92(76)87-23-7-11-33-91(87)102-96)67-44-56-75(57-45-67)98(73-52-40-65(41-53-73)78-25-14-28-85-82-21-5-9-31-89(82)100-94(78)85)74-54-42-66(43-55-74)79-26-15-29-86-83-22-6-10-32-90(83)101-95(79)86/h1-60H.

What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[4-[4-(4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]dibenzothiophen-1-yl]phenyl]phenyl]-4-phenylaniline?

N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[4-[4-(4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]dibenzothiophen-1-yl]phenyl]phenyl]-4-phenylaniline has a molecular weight of 1353.75 g/mol, XLogP of 29.30, 13 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)-N-[4-[3-[4-[4-(4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]dibenzothiophen-1-yl]phenyl]phenyl]-4-phenylaniline is sourced from PubChem (CID 170278959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).