N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-4-phenylaniline;N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-3-(4-phenylphenyl)aniline;N-[4-(3-naphtho[2,3-b][1]benzofuran-4-ylphenyl)phenyl]-4-phenylaniline

C114H77N3O3 — CID 158669625

About N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-4-phenylaniline;N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-3-(4-phenylphenyl)aniline;N-[4-(3-naphtho[2,3-b][1]benzofuran-4-ylphenyl)phenyl]-4-phenylaniline

N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-4-phenylaniline;N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-3-(4-phenylphenyl)aniline;N-[4-(3-naphtho[2,3-b][1]benzofuran-4-ylphenyl)phenyl]-4-phenylaniline (PubChem CID 158669625) has the molecular formula C114H77N3O3 and a molecular weight of 1536.89 g/mol. Its IUPAC name is N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-4-phenylaniline;N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-3-(4-phenylphenyl)aniline;N-[4-(3-naphtho[2,3-b][1]benzofuran-4-ylphenyl)phenyl]-4-phenylaniline.

Molecular Properties

• Compound Name: N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-4-phenylaniline;N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-3-(4-phenylphenyl)aniline;N-[4-(3-naphtho[2,3-b][1]benzofuran-4-ylphenyl)phenyl]-4-phenylaniline
• PubChem CID: 158669625
• Molecular Formula: C114H77N3O3
• Molecular Weight: 1536.89 g/mol
• Exact Mass: 1535.60
• IUPAC Name: N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-4-phenylaniline;N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-3-(4-phenylphenyl)aniline;N-[4-(3-naphtho[2,3-b][1]benzofuran-4-ylphenyl)phenyl]-4-phenylaniline
• SMILES: c1ccc(-c2ccc(-c3cccc(Nc4ccc(-c5ccc6c(c5)oc5ccc7ccccc7c56)cc4)c3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4ccc5oc6c7ccccc7ccc6c5c4)cc3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4cccc(-c5cccc6c5oc5cc7ccccc7cc56)c4)cc3)cc2)cc1
• InChI: InChI=1S/2C40H27NO.C34H23NO/c1-2-8-27(9-3-1)28-16-20-34(21-17-28)41-35-22-18-29(19-23-35)30-12-6-13-33(24-30)36-14-7-15-37-38-25-31-10-4-5-11-32(31)26-39(38)42-40(36)37;1-2-7-27(8-3-1)28-13-15-29(16-14-28)32-10-6-11-35(25-32)41-34-21-17-30(18-22-34)33-19-23-37-39(26-33)42-38-24-20-31-9-4-5-12-36(31)40(37)38;1-2-6-23(7-3-1)24-10-16-28(17-11-24)35-29-18-12-25(13-19-29)27-15-21-33-32(22-27)31-20-14-26-8-4-5-9-30(26)34(31)36-33/h2*1-26,41H;1-22,35H
• InChIKey: IDUCZEQCDYCSCX-UHFFFAOYSA-N
• XLogP: 32.78
• TPSA: 75.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1536.89
LogP ≤ 5	32.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-4-phenylaniline;N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-3-(4-phenylphenyl)aniline;N-[4-(3-naphtho[2,3-b][1]benzofuran-4-ylphenyl)phenyl]-4-phenylaniline?

The IUPAC name of N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-4-phenylaniline;N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-3-(4-phenylphenyl)aniline;N-[4-(3-naphtho[2,3-b][1]benzofuran-4-ylphenyl)phenyl]-4-phenylaniline (CID 158669625) is N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-4-phenylaniline;N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-3-(4-phenylphenyl)aniline;N-[4-(3-naphtho[2,3-b][1]benzofuran-4-ylphenyl)phenyl]-4-phenylaniline.

What is the SMILES notation for N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-4-phenylaniline;N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-3-(4-phenylphenyl)aniline;N-[4-(3-naphtho[2,3-b][1]benzofuran-4-ylphenyl)phenyl]-4-phenylaniline?

The canonical SMILES for N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-4-phenylaniline;N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-3-(4-phenylphenyl)aniline;N-[4-(3-naphtho[2,3-b][1]benzofuran-4-ylphenyl)phenyl]-4-phenylaniline is c1ccc(-c2ccc(-c3cccc(Nc4ccc(-c5ccc6c(c5)oc5ccc7ccccc7c56)cc4)c3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4ccc5oc6c7ccccc7ccc6c5c4)cc3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4cccc(-c5cccc6c5oc5cc7ccccc7cc56)c4)cc3)cc2)cc1.

What is the InChIKey of N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-4-phenylaniline;N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-3-(4-phenylphenyl)aniline;N-[4-(3-naphtho[2,3-b][1]benzofuran-4-ylphenyl)phenyl]-4-phenylaniline?

The InChIKey is IDUCZEQCDYCSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H27NO.C34H23NO/c1-2-8-27(9-3-1)28-16-20-34(21-17-28)41-35-22-18-29(19-23-35)30-12-6-13-33(24-30)36-14-7-15-37-38-25-31-10-4-5-11-32(31)26-39(38)42-40(36)37;1-2-7-27(8-3-1)28-13-15-29(16-14-28)32-10-6-11-35(25-32)41-34-21-17-30(18-22-34)33-19-23-37-39(26-33)42-38-24-20-31-9-4-5-12-36(31)40(37)38;1-2-6-23(7-3-1)24-10-16-28(17-11-24)35-29-18-12-25(13-19-29)27-15-21-33-32(22-27)31-20-14-26-8-4-5-9-30(26)34(31)36-33/h2*1-26,41H;1-22,35H.

What are the key properties of N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-4-phenylaniline;N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-3-(4-phenylphenyl)aniline;N-[4-(3-naphtho[2,3-b][1]benzofuran-4-ylphenyl)phenyl]-4-phenylaniline?

N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-4-phenylaniline;N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-3-(4-phenylphenyl)aniline;N-[4-(3-naphtho[2,3-b][1]benzofuran-4-ylphenyl)phenyl]-4-phenylaniline has a molecular weight of 1536.89 g/mol, XLogP of 32.78, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-4-phenylaniline;N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-3-(4-phenylphenyl)aniline;N-[4-(3-naphtho[2,3-b][1]benzofuran-4-ylphenyl)phenyl]-4-phenylaniline is sourced from PubChem (CID 158669625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).