1-[10-(4-fluorophenyl)anthracen-9-yl]-8-(10-naphtho[2,3-b][1]benzofuran-1-yl-9-naphtho[2,3-b][1]benzofuran-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran

C82H45FO3 — CID 167077280

About 1-[10-(4-fluorophenyl)anthracen-9-yl]-8-(10-naphtho[2,3-b][1]benzofuran-1-yl-9-naphtho[2,3-b][1]benzofuran-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran

1-[10-(4-fluorophenyl)anthracen-9-yl]-8-(10-naphtho[2,3-b][1]benzofuran-1-yl-9-naphtho[2,3-b][1]benzofuran-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran (PubChem CID 167077280) has the molecular formula C82H45FO3 and a molecular weight of 1097.26 g/mol. Its IUPAC name is 1-[10-(4-fluorophenyl)anthracen-9-yl]-8-(10-naphtho[2,3-b][1]benzofuran-1-yl-9-naphtho[2,3-b][1]benzofuran-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 1-[10-(4-fluorophenyl)anthracen-9-yl]-8-(10-naphtho[2,3-b][1]benzofuran-1-yl-9-naphtho[2,3-b][1]benzofuran-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran
• PubChem CID: 167077280
• Molecular Formula: C82H45FO3
• Molecular Weight: 1097.26 g/mol
• Exact Mass: 1096.34
• IUPAC Name: 1-[10-(4-fluorophenyl)anthracen-9-yl]-8-(10-naphtho[2,3-b][1]benzofuran-1-yl-9-naphtho[2,3-b][1]benzofuran-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran
• SMILES: Fc1ccc(-c2c3ccccc3c(-c3cccc4oc5cc6cc(-c7ccc8c(-c9cccc%10oc%11cc%12ccccc%12cc%11c9%10)c9ccccc9c(-c9ccc%10oc%11cc%12ccccc%12cc%11c%10c9)c8c7)ccc6cc5c34)c3ccccc23)cc1
• InChI: InChI=1S/C82H45FO3/c83-56-33-29-46(30-34-56)77-57-17-5-8-20-60(57)79(61-21-9-6-18-58(61)77)64-23-11-26-73-81(64)70-41-53-28-27-51(37-55(53)45-76(70)86-73)52-31-35-63-68(39-52)78(54-32-36-71-66(42-54)67-38-47-13-1-3-15-49(47)43-74(67)84-71)59-19-7-10-22-62(59)80(63)65-24-12-25-72-82(65)69-40-48-14-2-4-16-50(48)44-75(69)85-72/h1-45H
• InChIKey: DMXATXNECVWMSU-UHFFFAOYSA-N
• XLogP: 23.93
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1097.26
LogP ≤ 5	23.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[10-(4-fluorophenyl)anthracen-9-yl]-8-(10-naphtho[2,3-b][1]benzofuran-1-yl-9-naphtho[2,3-b][1]benzofuran-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran?

The IUPAC name of 1-[10-(4-fluorophenyl)anthracen-9-yl]-8-(10-naphtho[2,3-b][1]benzofuran-1-yl-9-naphtho[2,3-b][1]benzofuran-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran (CID 167077280) is 1-[10-(4-fluorophenyl)anthracen-9-yl]-8-(10-naphtho[2,3-b][1]benzofuran-1-yl-9-naphtho[2,3-b][1]benzofuran-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran.

What is the SMILES notation for 1-[10-(4-fluorophenyl)anthracen-9-yl]-8-(10-naphtho[2,3-b][1]benzofuran-1-yl-9-naphtho[2,3-b][1]benzofuran-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran?

The canonical SMILES for 1-[10-(4-fluorophenyl)anthracen-9-yl]-8-(10-naphtho[2,3-b][1]benzofuran-1-yl-9-naphtho[2,3-b][1]benzofuran-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran is Fc1ccc(-c2c3ccccc3c(-c3cccc4oc5cc6cc(-c7ccc8c(-c9cccc%10oc%11cc%12ccccc%12cc%11c9%10)c9ccccc9c(-c9ccc%10oc%11cc%12ccccc%12cc%11c%10c9)c8c7)ccc6cc5c34)c3ccccc23)cc1.

What is the InChIKey of 1-[10-(4-fluorophenyl)anthracen-9-yl]-8-(10-naphtho[2,3-b][1]benzofuran-1-yl-9-naphtho[2,3-b][1]benzofuran-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran?

The InChIKey is DMXATXNECVWMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H45FO3/c83-56-33-29-46(30-34-56)77-57-17-5-8-20-60(57)79(61-21-9-6-18-58(61)77)64-23-11-26-73-81(64)70-41-53-28-27-51(37-55(53)45-76(70)86-73)52-31-35-63-68(39-52)78(54-32-36-71-66(42-54)67-38-47-13-1-3-15-49(47)43-74(67)84-71)59-19-7-10-22-62(59)80(63)65-24-12-25-72-82(65)69-40-48-14-2-4-16-50(48)44-75(69)85-72/h1-45H.

What are the key properties of 1-[10-(4-fluorophenyl)anthracen-9-yl]-8-(10-naphtho[2,3-b][1]benzofuran-1-yl-9-naphtho[2,3-b][1]benzofuran-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran?

1-[10-(4-fluorophenyl)anthracen-9-yl]-8-(10-naphtho[2,3-b][1]benzofuran-1-yl-9-naphtho[2,3-b][1]benzofuran-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran has a molecular weight of 1097.26 g/mol, XLogP of 23.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[10-(4-fluorophenyl)anthracen-9-yl]-8-(10-naphtho[2,3-b][1]benzofuran-1-yl-9-naphtho[2,3-b][1]benzofuran-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 167077280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).