8-[9-naphtho[2,3-b][1]benzofuran-1-yl-10-(7-phenylnaphthalen-2-yl)anthracen-2-yl]-1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran

C92H54O2 — CID 167077098

About 8-[9-naphtho[2,3-b][1]benzofuran-1-yl-10-(7-phenylnaphthalen-2-yl)anthracen-2-yl]-1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran

8-[9-naphtho[2,3-b][1]benzofuran-1-yl-10-(7-phenylnaphthalen-2-yl)anthracen-2-yl]-1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 167077098) has the molecular formula C92H54O2 and a molecular weight of 1191.44 g/mol. Its IUPAC name is 8-[9-naphtho[2,3-b][1]benzofuran-1-yl-10-(7-phenylnaphthalen-2-yl)anthracen-2-yl]-1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 8-[9-naphtho[2,3-b][1]benzofuran-1-yl-10-(7-phenylnaphthalen-2-yl)anthracen-2-yl]-1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
• PubChem CID: 167077098
• Molecular Formula: C92H54O2
• Molecular Weight: 1191.44 g/mol
• Exact Mass: 1190.41
• IUPAC Name: 8-[9-naphtho[2,3-b][1]benzofuran-1-yl-10-(7-phenylnaphthalen-2-yl)anthracen-2-yl]-1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
• SMILES: c1ccc(-c2ccc3ccc(-c4c5ccccc5c(-c5cccc6oc7cc8ccccc8cc7c56)c5cc(-c6ccc7cc8c(cc7c6)oc6cccc(-c7c9ccccc9c(-c9cccc%10ccc(-c%11ccccc%11)cc9%10)c9ccccc79)c68)ccc45)cc3c2)cc1
• InChI: InChI=1S/C92H54O2/c1-3-18-55(19-4-1)61-39-36-57-37-43-66(48-67(57)46-61)87-69-25-9-10-26-70(69)90(78-33-17-35-84-92(78)81-51-59-22-7-8-23-60(59)53-85(81)93-84)80-50-64(44-45-76(80)87)62-41-42-65-52-82-86(54-68(65)47-62)94-83-34-16-32-77(91(82)83)89-73-29-13-11-27-71(73)88(72-28-12-14-30-74(72)89)75-31-15-24-58-38-40-63(49-79(58)75)56-20-5-2-6-21-56/h1-54H
• InChIKey: WBKQTRZTRWBLKX-UHFFFAOYSA-N
• XLogP: 26.38
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1191.44
LogP ≤ 5	26.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[9-naphtho[2,3-b][1]benzofuran-1-yl-10-(7-phenylnaphthalen-2-yl)anthracen-2-yl]-1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

The IUPAC name of 8-[9-naphtho[2,3-b][1]benzofuran-1-yl-10-(7-phenylnaphthalen-2-yl)anthracen-2-yl]-1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran (CID 167077098) is 8-[9-naphtho[2,3-b][1]benzofuran-1-yl-10-(7-phenylnaphthalen-2-yl)anthracen-2-yl]-1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

What is the SMILES notation for 8-[9-naphtho[2,3-b][1]benzofuran-1-yl-10-(7-phenylnaphthalen-2-yl)anthracen-2-yl]-1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

The canonical SMILES for 8-[9-naphtho[2,3-b][1]benzofuran-1-yl-10-(7-phenylnaphthalen-2-yl)anthracen-2-yl]-1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran is c1ccc(-c2ccc3ccc(-c4c5ccccc5c(-c5cccc6oc7cc8ccccc8cc7c56)c5cc(-c6ccc7cc8c(cc7c6)oc6cccc(-c7c9ccccc9c(-c9cccc%10ccc(-c%11ccccc%11)cc9%10)c9ccccc79)c68)ccc45)cc3c2)cc1.

What is the InChIKey of 8-[9-naphtho[2,3-b][1]benzofuran-1-yl-10-(7-phenylnaphthalen-2-yl)anthracen-2-yl]-1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

The InChIKey is WBKQTRZTRWBLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H54O2/c1-3-18-55(19-4-1)61-39-36-57-37-43-66(48-67(57)46-61)87-69-25-9-10-26-70(69)90(78-33-17-35-84-92(78)81-51-59-22-7-8-23-60(59)53-85(81)93-84)80-50-64(44-45-76(80)87)62-41-42-65-52-82-86(54-68(65)47-62)94-83-34-16-32-77(91(82)83)89-73-29-13-11-27-71(73)88(72-28-12-14-30-74(72)89)75-31-15-24-58-38-40-63(49-79(58)75)56-20-5-2-6-21-56/h1-54H.

What are the key properties of 8-[9-naphtho[2,3-b][1]benzofuran-1-yl-10-(7-phenylnaphthalen-2-yl)anthracen-2-yl]-1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

8-[9-naphtho[2,3-b][1]benzofuran-1-yl-10-(7-phenylnaphthalen-2-yl)anthracen-2-yl]-1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 1191.44 g/mol, XLogP of 26.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[9-naphtho[2,3-b][1]benzofuran-1-yl-10-(7-phenylnaphthalen-2-yl)anthracen-2-yl]-1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 167077098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).