11-[3-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-5-[1-[10-(4-naphtho[2,1-b][1]benzofuran-11-ylphenyl)anthracen-9-yl]dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran

C96H54O4 — CID 167085507

About 11-[3-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-5-[1-[10-(4-naphtho[2,1-b][1]benzofuran-11-ylphenyl)anthracen-9-yl]dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran

11-[3-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-5-[1-[10-(4-naphtho[2,1-b][1]benzofuran-11-ylphenyl)anthracen-9-yl]dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran (PubChem CID 167085507) has the molecular formula C96H54O4 and a molecular weight of 1271.48 g/mol. Its IUPAC name is 11-[3-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-5-[1-[10-(4-naphtho[2,1-b][1]benzofuran-11-ylphenyl)anthracen-9-yl]dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

• Compound Name: 11-[3-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-5-[1-[10-(4-naphtho[2,1-b][1]benzofuran-11-ylphenyl)anthracen-9-yl]dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran
• PubChem CID: 167085507
• Molecular Formula: C96H54O4
• Molecular Weight: 1271.48 g/mol
• Exact Mass: 1270.40
• IUPAC Name: 11-[3-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-5-[1-[10-(4-naphtho[2,1-b][1]benzofuran-11-ylphenyl)anthracen-9-yl]dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran
• SMILES: c1cc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)cc(-c2cccc3oc4cc(-c5ccc(-c6c7ccccc7c(-c7ccc(-c8cccc9oc%10ccc%11ccccc%11c%10c89)cc7)c7ccccc67)c6c5oc5ccccc56)c5ccccc5c4c23)c1
• InChI: InChI=1S/C96H54O4/c1-2-23-61-55(20-1)46-51-85-93(61)92-62(36-18-40-83(92)98-85)56-42-44-57(45-43-56)87-71-31-9-11-33-73(71)90(74-34-12-10-32-72(74)87)77-49-48-75(96-91(77)76-35-14-16-39-81(76)100-96)78-54-86-95(66-26-4-3-24-64(66)78)94-63(37-19-41-84(94)99-86)58-21-17-22-59(52-58)88-67-27-5-7-29-69(67)89(70-30-8-6-28-68(70)88)60-47-50-82-79(53-60)65-25-13-15-38-80(65)97-82/h1-54H
• InChIKey: CYOZKGVGSRHIEB-UHFFFAOYSA-N
• XLogP: 27.87
• TPSA: 52.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1271.48
LogP ≤ 5	27.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[3-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-5-[1-[10-(4-naphtho[2,1-b][1]benzofuran-11-ylphenyl)anthracen-9-yl]dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran?

The IUPAC name of 11-[3-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-5-[1-[10-(4-naphtho[2,1-b][1]benzofuran-11-ylphenyl)anthracen-9-yl]dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran (CID 167085507) is 11-[3-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-5-[1-[10-(4-naphtho[2,1-b][1]benzofuran-11-ylphenyl)anthracen-9-yl]dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran.

What is the SMILES notation for 11-[3-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-5-[1-[10-(4-naphtho[2,1-b][1]benzofuran-11-ylphenyl)anthracen-9-yl]dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran?

The canonical SMILES for 11-[3-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-5-[1-[10-(4-naphtho[2,1-b][1]benzofuran-11-ylphenyl)anthracen-9-yl]dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran is c1cc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)cc(-c2cccc3oc4cc(-c5ccc(-c6c7ccccc7c(-c7ccc(-c8cccc9oc%10ccc%11ccccc%11c%10c89)cc7)c7ccccc67)c6c5oc5ccccc56)c5ccccc5c4c23)c1.

What is the InChIKey of 11-[3-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-5-[1-[10-(4-naphtho[2,1-b][1]benzofuran-11-ylphenyl)anthracen-9-yl]dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran?

The InChIKey is CYOZKGVGSRHIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H54O4/c1-2-23-61-55(20-1)46-51-85-93(61)92-62(36-18-40-83(92)98-85)56-42-44-57(45-43-56)87-71-31-9-11-33-73(71)90(74-34-12-10-32-72(74)87)77-49-48-75(96-91(77)76-35-14-16-39-81(76)100-96)78-54-86-95(66-26-4-3-24-64(66)78)94-63(37-19-41-84(94)99-86)58-21-17-22-59(52-58)88-67-27-5-7-29-69(67)89(70-30-8-6-28-68(70)88)60-47-50-82-79(53-60)65-25-13-15-38-80(65)97-82/h1-54H.

What are the key properties of 11-[3-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-5-[1-[10-(4-naphtho[2,1-b][1]benzofuran-11-ylphenyl)anthracen-9-yl]dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran?

11-[3-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-5-[1-[10-(4-naphtho[2,1-b][1]benzofuran-11-ylphenyl)anthracen-9-yl]dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran has a molecular weight of 1271.48 g/mol, XLogP of 27.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-5-[1-[10-(4-naphtho[2,1-b][1]benzofuran-11-ylphenyl)anthracen-9-yl]dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 167085507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).