3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(9-dibenzothiophen-4-yl-9H-fluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline

C169H116N4O2S — CID 158296108

About 3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(9-dibenzothiophen-4-yl-9H-fluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline

3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(9-dibenzothiophen-4-yl-9H-fluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline (PubChem CID 158296108) has the molecular formula C169H116N4O2S and a molecular weight of 2266.88 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(9-dibenzothiophen-4-yl-9H-fluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: 3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(9-dibenzothiophen-4-yl-9H-fluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
• PubChem CID: 158296108
• Molecular Formula: C169H116N4O2S
• Molecular Weight: 2266.88 g/mol
• Exact Mass: 2264.88
• IUPAC Name: 3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(9-dibenzothiophen-4-yl-9H-fluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C5c4cccc5c4sc4ccccc45)cc3)cc2)cc1
• InChI: InChI=1S/C60H44N2.C55H37NS.C54H35NO2/c1-5-13-45(14-6-1)47-21-25-49(26-22-47)51-29-37-57(38-30-51)61(55-17-9-3-10-18-55)59-41-33-53(34-42-59)54-35-43-60(44-36-54)62(56-19-11-4-12-20-56)58-39-31-52(32-40-58)50-27-23-48(24-28-50)46-15-7-2-8-16-46;1-3-12-37(13-4-1)39-22-29-43(30-23-39)56(44-31-24-40(25-32-44)38-14-5-2-6-15-38)45-33-26-41(27-34-45)42-28-35-49-52(36-42)46-16-7-8-18-48(46)54(49)51-20-11-19-50-47-17-9-10-21-53(47)57-55(50)51;1-2-11-36(12-3-1)37-23-25-38(26-24-37)39-27-31-42(32-28-39)55(43-33-29-40(30-34-43)45-17-9-19-49-47-15-4-6-21-51(47)56-53(45)49)44-14-8-13-41(35-44)46-18-10-20-50-48-16-5-7-22-52(48)57-54(46)50/h1-44H;1-36,54H;1-35H
• InChIKey: GLXSKPIYCYGNEL-UHFFFAOYSA-N
• XLogP: 48.27
• TPSA: 39.24 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 25
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2266.88
LogP ≤ 5	48.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(9-dibenzothiophen-4-yl-9H-fluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline (CID 158296108) is 3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(9-dibenzothiophen-4-yl-9H-fluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline.

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

The canonical SMILES for 3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(9-dibenzothiophen-4-yl-9H-fluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C5c4cccc5c4sc4ccccc45)cc3)cc2)cc1.

What is the InChIKey of 3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(9-dibenzothiophen-4-yl-9H-fluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline?

The InChIKey is GLXSKPIYCYGNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2.C55H37NS.C54H35NO2/c1-5-13-45(14-6-1)47-21-25-49(26-22-47)51-29-37-57(38-30-51)61(55-17-9-3-10-18-55)59-41-33-53(34-42-59)54-35-43-60(44-36-54)62(56-19-11-4-12-20-56)58-39-31-52(32-40-58)50-27-23-48(24-28-50)46-15-7-2-8-16-46;1-3-12-37(13-4-1)39-22-29-43(30-23-39)56(44-31-24-40(25-32-44)38-14-5-2-6-15-38)45-33-26-41(27-34-45)42-28-35-49-52(36-42)46-16-7-8-18-48(46)54(49)51-20-11-19-50-47-17-9-10-21-53(47)57-55(50)51;1-2-11-36(12-3-1)37-23-25-38(26-24-37)39-27-31-42(32-28-39)55(43-33-29-40(30-34-43)45-17-9-19-49-47-15-4-6-21-51(47)56-53(45)49)44-14-8-13-41(35-44)46-18-10-20-50-48-16-5-7-22-52(48)57-54(46)50/h1-44H;1-36,54H;1-35H.

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

3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(9-dibenzothiophen-4-yl-9H-fluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline has a molecular weight of 2266.88 g/mol, XLogP of 48.27, 25 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(9-dibenzothiophen-4-yl-9H-fluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline is sourced from PubChem (CID 158296108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).