2-(10-naphthalen-2-ylanthracen-9-yl)-6-[5-[6-[10-(3-phenyldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]dibenzofuran

C88H52O2 — CID 167246890

About 2-(10-naphthalen-2-ylanthracen-9-yl)-6-[5-[6-[10-(3-phenyldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]dibenzofuran

2-(10-naphthalen-2-ylanthracen-9-yl)-6-[5-[6-[10-(3-phenyldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]dibenzofuran (PubChem CID 167246890) has the molecular formula C88H52O2 and a molecular weight of 1141.38 g/mol. Its IUPAC name is 2-(10-naphthalen-2-ylanthracen-9-yl)-6-[5-[6-[10-(3-phenyldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]dibenzofuran.

Molecular Properties

• Compound Name: 2-(10-naphthalen-2-ylanthracen-9-yl)-6-[5-[6-[10-(3-phenyldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]dibenzofuran
• PubChem CID: 167246890
• Molecular Formula: C88H52O2
• Molecular Weight: 1141.38 g/mol
• Exact Mass: 1140.40
• IUPAC Name: 2-(10-naphthalen-2-ylanthracen-9-yl)-6-[5-[6-[10-(3-phenyldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]dibenzofuran
• SMILES: c1ccc(-c2cc3oc4ccccc4c3cc2-c2c3ccccc3c(-c3ccc4cc(-c5cccc6c(-c7cccc8c7oc7ccc(-c9c%10ccccc%10c(-c%10ccc%11ccccc%11c%10)c%10ccccc9%10)cc78)cccc56)ccc4c3)c3ccccc23)cc1
• InChI: InChI=1S/C88H52O2/c1-2-20-54(21-3-1)77-52-83-79(66-23-14-15-38-81(66)89-83)51-80(77)87-73-30-12-10-28-71(73)85(72-29-11-13-31-74(72)87)60-44-41-56-47-58(42-40-57(56)49-60)62-32-16-34-64-63(62)33-17-35-65(64)75-36-18-37-76-78-50-61(45-46-82(78)90-88(75)76)86-69-26-8-6-24-67(69)84(68-25-7-9-27-70(68)86)59-43-39-53-19-4-5-22-55(53)48-59/h1-52H
• InChIKey: PFKNQGLCJMTPAB-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 2-(10-naphthalen-2-ylanthracen-9-yl)-6-[5-[6-[10-(3-phenyldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]dibenzofuran?

The IUPAC name of 2-(10-naphthalen-2-ylanthracen-9-yl)-6-[5-[6-[10-(3-phenyldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]dibenzofuran (CID 167246890) is 2-(10-naphthalen-2-ylanthracen-9-yl)-6-[5-[6-[10-(3-phenyldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]dibenzofuran.

What is the SMILES notation for 2-(10-naphthalen-2-ylanthracen-9-yl)-6-[5-[6-[10-(3-phenyldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]dibenzofuran?

The canonical SMILES for 2-(10-naphthalen-2-ylanthracen-9-yl)-6-[5-[6-[10-(3-phenyldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]dibenzofuran is c1ccc(-c2cc3oc4ccccc4c3cc2-c2c3ccccc3c(-c3ccc4cc(-c5cccc6c(-c7cccc8c7oc7ccc(-c9c%10ccccc%10c(-c%10ccc%11ccccc%11c%10)c%10ccccc9%10)cc78)cccc56)ccc4c3)c3ccccc23)cc1.

What is the InChIKey of 2-(10-naphthalen-2-ylanthracen-9-yl)-6-[5-[6-[10-(3-phenyldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]dibenzofuran?

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

What are the key properties of 2-(10-naphthalen-2-ylanthracen-9-yl)-6-[5-[6-[10-(3-phenyldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]dibenzofuran?

2-(10-naphthalen-2-ylanthracen-9-yl)-6-[5-[6-[10-(3-phenyldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]dibenzofuran 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 2-(10-naphthalen-2-ylanthracen-9-yl)-6-[5-[6-[10-(3-phenyldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]dibenzofuran is sourced from PubChem (CID 167246890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).