N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C118H84N2O2 — CID 161043494

About N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 161043494) has the molecular formula C118H84N2O2 and a molecular weight of 1561.98 g/mol. Its IUPAC name is N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• PubChem CID: 161043494
• Molecular Formula: C118H84N2O2
• Molecular Weight: 1561.98 g/mol
• Exact Mass: 1560.65
• IUPAC Name: N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• SMILES: CC1(C)c2ccccc2-c2c1cc(-c1ccccc1)c1c2oc2c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc3)cccc21.CC1(C)c2ccccc2-c2c1cc(-c1ccccc1)c1c2oc2c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cccc21
• InChI: InChI=1S/C61H43NO.C57H41NO/c1-61(2)55-23-12-11-20-52(55)58-56(61)39-54(44-17-7-4-8-18-44)57-53-22-13-21-51(59(53)63-60(57)58)45-30-36-50(37-31-45)62(48-32-26-42(27-33-48)40-14-5-3-6-15-40)49-34-28-43(29-35-49)47-25-24-41-16-9-10-19-46(41)38-47;1-57(2)51-24-13-12-21-48(51)54-52(57)37-50(42-19-10-5-11-20-42)53-49-23-14-22-47(55(49)59-56(53)54)43-29-35-46(36-30-43)58(44-31-25-40(26-32-44)38-15-6-3-7-16-38)45-33-27-41(28-34-45)39-17-8-4-9-18-39/h3-39H,1-2H3;3-37H,1-2H3
• InChIKey: UBEOGECVIWIDIC-UHFFFAOYSA-N
• XLogP: 33.21
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1561.98
LogP ≤ 5	33.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The IUPAC name of N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 161043494) is N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

What is the SMILES notation for N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The canonical SMILES for N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is CC1(C)c2ccccc2-c2c1cc(-c1ccccc1)c1c2oc2c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc3)cccc21.CC1(C)c2ccccc2-c2c1cc(-c1ccccc1)c1c2oc2c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cccc21.

What is the InChIKey of N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The InChIKey is UBEOGECVIWIDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43NO.C57H41NO/c1-61(2)55-23-12-11-20-52(55)58-56(61)39-54(44-17-7-4-8-18-44)57-53-22-13-21-51(59(53)63-60(57)58)45-30-36-50(37-31-45)62(48-32-26-42(27-33-48)40-14-5-3-6-15-40)49-34-28-43(29-35-49)47-25-24-41-16-9-10-19-46(41)38-47;1-57(2)51-24-13-12-21-48(51)54-52(57)37-50(42-19-10-5-11-20-42)53-49-23-14-22-47(55(49)59-56(53)54)43-29-35-46(36-30-43)58(44-31-25-40(26-32-44)38-15-6-3-7-16-38)45-33-27-41(28-34-45)39-17-8-4-9-18-39/h3-39H,1-2H3;3-37H,1-2H3.

What are the key properties of N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 1561.98 g/mol, XLogP of 33.21, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 161043494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).