N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline

C122H86N4O3 — CID 161468375

About N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline

N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline (PubChem CID 161468375) has the molecular formula C122H86N4O3 and a molecular weight of 1656.05 g/mol. Its IUPAC name is N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline.

Molecular Properties

• Compound Name: N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
• PubChem CID: 161468375
• Molecular Formula: C122H86N4O3
• Molecular Weight: 1656.05 g/mol
• Exact Mass: 1654.67
• IUPAC Name: N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
• SMILES: Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)cc2)c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C62H44N2O2.C60H42N2O/c1-41-11-25-49(26-12-41)63(53-33-19-45(20-34-53)47-23-37-61-57(39-47)55-7-3-5-9-59(55)65-61)51-29-15-43(16-30-51)44-17-31-52(32-18-44)64(50-27-13-42(2)14-28-50)54-35-21-46(22-36-54)48-24-38-62-58(40-48)56-8-4-6-10-60(56)66-62;1-4-13-43(14-5-1)45-23-33-52(34-24-45)62(53-35-25-46(26-36-53)44-15-6-2-7-16-44)54-39-29-48(30-40-54)47-27-37-51(38-28-47)61(50-17-8-3-9-18-50)55-41-31-49(32-42-55)56-20-12-21-58-57-19-10-11-22-59(57)63-60(56)58/h3-40H,1-2H3;1-42H
• InChIKey: WCSXDFXPXYBCJG-UHFFFAOYSA-N
• XLogP: 35.24
• TPSA: 52.38 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1656.05
LogP ≤ 5	35.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline?

The IUPAC name of N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline (CID 161468375) is N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline.

What is the SMILES notation for N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline?

The canonical SMILES for N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline is Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)cc2)c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline?

The InChIKey is WCSXDFXPXYBCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2O2.C60H42N2O/c1-41-11-25-49(26-12-41)63(53-33-19-45(20-34-53)47-23-37-61-57(39-47)55-7-3-5-9-59(55)65-61)51-29-15-43(16-30-51)44-17-31-52(32-18-44)64(50-27-13-42(2)14-28-50)54-35-21-46(22-36-54)48-24-38-62-58(40-48)56-8-4-6-10-60(56)66-62;1-4-13-43(14-5-1)45-23-33-52(34-24-45)62(53-35-25-46(26-36-53)44-15-6-2-7-16-44)54-39-29-48(30-40-54)47-27-37-51(38-28-47)61(50-17-8-3-9-18-50)55-41-31-49(32-42-55)56-20-12-21-58-57-19-10-11-22-59(57)63-60(56)58/h3-40H,1-2H3;1-42H.

What are the key properties of N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline?

N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline has a molecular weight of 1656.05 g/mol, XLogP of 35.24, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline is sourced from PubChem (CID 161468375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).