9-(4-naphthalen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran

C70H44O2 — CID 58151120

About 9-(4-naphthalen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran

9-(4-naphthalen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran (PubChem CID 58151120) has the molecular formula C70H44O2 and a molecular weight of 917.12 g/mol. Its IUPAC name is 9-(4-naphthalen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran.

Molecular Properties

• Compound Name: 9-(4-naphthalen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran
• PubChem CID: 58151120
• Molecular Formula: C70H44O2
• Molecular Weight: 917.12 g/mol
• Exact Mass: 916.33
• IUPAC Name: 9-(4-naphthalen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran
• SMILES: c1ccc(-c2oc3c(cc(-c4ccc(-c5cccc6ccccc56)cc4)c4c5oc(-c6ccccc6)c(-c6ccccc6)c5cc(-c5ccc(-c6ccc7ccccc7c6)cc5)c34)c2-c2ccccc2)cc1
• InChI: InChI=1S/C70H44O2/c1-5-20-51(21-6-1)63-61-43-59(49-35-32-46(33-36-49)56-41-34-45-18-13-14-28-55(45)42-56)65-66(70(61)72-67(63)53-24-9-3-10-25-53)60(50-39-37-48(38-40-50)58-31-17-29-47-19-15-16-30-57(47)58)44-62-64(52-22-7-2-8-23-52)68(71-69(62)65)54-26-11-4-12-27-54/h1-44H
• InChIKey: SEMVTICKVSXULD-UHFFFAOYSA-N
• XLogP: 19.97
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	917.12
LogP ≤ 5	19.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9-(4-naphthalen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran?

The IUPAC name of 9-(4-naphthalen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran (CID 58151120) is 9-(4-naphthalen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran.

What is the SMILES notation for 9-(4-naphthalen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran?

The canonical SMILES for 9-(4-naphthalen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran is c1ccc(-c2oc3c(cc(-c4ccc(-c5cccc6ccccc56)cc4)c4c5oc(-c6ccccc6)c(-c6ccccc6)c5cc(-c5ccc(-c6ccc7ccccc7c6)cc5)c34)c2-c2ccccc2)cc1.

What is the InChIKey of 9-(4-naphthalen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran?

The InChIKey is SEMVTICKVSXULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44O2/c1-5-20-51(21-6-1)63-61-43-59(49-35-32-46(33-36-49)56-41-34-45-18-13-14-28-55(45)42-56)65-66(70(61)72-67(63)53-24-9-3-10-25-53)60(50-39-37-48(38-40-50)58-31-17-29-47-19-15-16-30-57(47)58)44-62-64(52-22-7-2-8-23-52)68(71-69(62)65)54-26-11-4-12-27-54/h1-44H.

What are the key properties of 9-(4-naphthalen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran?

9-(4-naphthalen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran has a molecular weight of 917.12 g/mol, XLogP of 19.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-naphthalen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran is sourced from PubChem (CID 58151120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).