1-[5-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran

C84H50O2 — CID 135216097

About 1-[5-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran

1-[5-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran (PubChem CID 135216097) has the molecular formula C84H50O2 and a molecular weight of 1091.32 g/mol. Its IUPAC name is 1-[5-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran.

Molecular Properties

• Compound Name: 1-[5-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
• PubChem CID: 135216097
• Molecular Formula: C84H50O2
• Molecular Weight: 1091.32 g/mol
• Exact Mass: 1090.38
• IUPAC Name: 1-[5-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
• SMILES: c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2c3ccccc3c(-c3cccc4c(-c5cccc6oc7c(-c8ccc(-c9c%10ccccc%10c(-c%10cccc%11ccccc%10%11)c%10ccccc9%10)cc8)cccc7c56)cccc34)c3ccccc23)c1
• InChI: InChI=1S/C84H50O2/c1-2-23-57-51(19-1)20-14-37-63(57)81-70-29-7-3-25-66(70)79(67-26-4-8-30-71(67)81)53-45-43-52(44-46-53)58-33-15-40-74-83-65(39-18-42-78(83)86-84(58)74)61-36-16-35-60-59(61)34-17-38-64(60)82-72-31-9-5-27-68(72)80(69-28-6-10-32-73(69)82)56-22-13-21-54(49-56)55-47-48-77-75(50-55)62-24-11-12-41-76(62)85-77/h1-50H
• InChIKey: XATFXKHMQXLQRH-UHFFFAOYSA-N
• XLogP: 24.07
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1091.32
LogP ≤ 5	24.07
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 1-[5-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran?

The IUPAC name of 1-[5-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran (CID 135216097) is 1-[5-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran.

What is the SMILES notation for 1-[5-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran?

The canonical SMILES for 1-[5-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran is c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2c3ccccc3c(-c3cccc4c(-c5cccc6oc7c(-c8ccc(-c9c%10ccccc%10c(-c%10cccc%11ccccc%10%11)c%10ccccc9%10)cc8)cccc7c56)cccc34)c3ccccc23)c1.

What is the InChIKey of 1-[5-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran?

The InChIKey is XATFXKHMQXLQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H50O2/c1-2-23-57-51(19-1)20-14-37-63(57)81-70-29-7-3-25-66(70)79(67-26-4-8-30-71(67)81)53-45-43-52(44-46-53)58-33-15-40-74-83-65(39-18-42-78(83)86-84(58)74)61-36-16-35-60-59(61)34-17-38-64(60)82-72-31-9-5-27-68(72)80(69-28-6-10-32-73(69)82)56-22-13-21-54(49-56)55-47-48-77-75(50-55)62-24-11-12-41-76(62)85-77/h1-50H.

What are the key properties of 1-[5-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran?

1-[5-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran has a molecular weight of 1091.32 g/mol, XLogP of 24.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 135216097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).