3-[2-[10-(2-naphthalen-1-ylphenyl)-9-naphtho[2,3-b][1]benzofuran-3-ylanthracen-2-yl]-10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran

C88H52O2 — CID 167247477

About 3-[2-[10-(2-naphthalen-1-ylphenyl)-9-naphtho[2,3-b][1]benzofuran-3-ylanthracen-2-yl]-10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran

3-[2-[10-(2-naphthalen-1-ylphenyl)-9-naphtho[2,3-b][1]benzofuran-3-ylanthracen-2-yl]-10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 167247477) has the molecular formula C88H52O2 and a molecular weight of 1141.38 g/mol. Its IUPAC name is 3-[2-[10-(2-naphthalen-1-ylphenyl)-9-naphtho[2,3-b][1]benzofuran-3-ylanthracen-2-yl]-10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 3-[2-[10-(2-naphthalen-1-ylphenyl)-9-naphtho[2,3-b][1]benzofuran-3-ylanthracen-2-yl]-10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
• PubChem CID: 167247477
• Molecular Formula: C88H52O2
• Molecular Weight: 1141.38 g/mol
• Exact Mass: 1140.40
• IUPAC Name: 3-[2-[10-(2-naphthalen-1-ylphenyl)-9-naphtho[2,3-b][1]benzofuran-3-ylanthracen-2-yl]-10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
• SMILES: c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4cc6ccccc6cc45)c4cc(-c5ccc6c(-c7ccccc7-c7cccc8ccccc78)c7ccccc7c(-c7ccc8c(c7)oc7cc9ccccc9cc78)c6c5)ccc34)cc2)cc1
• InChI: InChI=1S/C88H52O2/c1-2-17-53(18-3-1)54-33-35-56(36-34-54)85-71-28-12-13-29-72(71)86(63-39-41-68-77-45-57-20-4-6-22-59(57)49-83(77)89-81(68)51-63)79-47-61(37-43-75(79)85)62-38-44-76-80(48-62)87(64-40-42-69-78-46-58-21-5-7-23-60(58)50-84(78)90-82(69)52-64)73-30-14-15-31-74(73)88(76)70-27-11-10-26-67(70)66-32-16-24-55-19-8-9-25-65(55)66/h1-52H
• InChIKey: HKGPOUMKKBSBMA-UHFFFAOYSA-N
• XLogP: 25.23
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1141.38
LogP ≤ 5	25.23
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 3-[2-[10-(2-naphthalen-1-ylphenyl)-9-naphtho[2,3-b][1]benzofuran-3-ylanthracen-2-yl]-10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

The IUPAC name of 3-[2-[10-(2-naphthalen-1-ylphenyl)-9-naphtho[2,3-b][1]benzofuran-3-ylanthracen-2-yl]-10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran (CID 167247477) is 3-[2-[10-(2-naphthalen-1-ylphenyl)-9-naphtho[2,3-b][1]benzofuran-3-ylanthracen-2-yl]-10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

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

The canonical SMILES for 3-[2-[10-(2-naphthalen-1-ylphenyl)-9-naphtho[2,3-b][1]benzofuran-3-ylanthracen-2-yl]-10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4cc6ccccc6cc45)c4cc(-c5ccc6c(-c7ccccc7-c7cccc8ccccc78)c7ccccc7c(-c7ccc8c(c7)oc7cc9ccccc9cc78)c6c5)ccc34)cc2)cc1.

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

The InChIKey is HKGPOUMKKBSBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H52O2/c1-2-17-53(18-3-1)54-33-35-56(36-34-54)85-71-28-12-13-29-72(71)86(63-39-41-68-77-45-57-20-4-6-22-59(57)49-83(77)89-81(68)51-63)79-47-61(37-43-75(79)85)62-38-44-76-80(48-62)87(64-40-42-69-78-46-58-21-5-7-23-60(58)50-84(78)90-82(69)52-64)73-30-14-15-31-74(73)88(76)70-27-11-10-26-67(70)66-32-16-24-55-19-8-9-25-65(55)66/h1-52H.

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

3-[2-[10-(2-naphthalen-1-ylphenyl)-9-naphtho[2,3-b][1]benzofuran-3-ylanthracen-2-yl]-10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 1141.38 g/mol, XLogP of 25.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[10-(2-naphthalen-1-ylphenyl)-9-naphtho[2,3-b][1]benzofuran-3-ylanthracen-2-yl]-10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 167247477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).