2-[10-dibenzofuran-1-yl-3-(4-phenylphenyl)anthracen-9-yl]-6-[6-[10-(4-naphthalen-1-ylphenyl)-2-phenylanthracen-9-yl]dibenzothiophen-1-yl]pyridine

C91H55NOS — CID 166950023

About 2-[10-dibenzofuran-1-yl-3-(4-phenylphenyl)anthracen-9-yl]-6-[6-[10-(4-naphthalen-1-ylphenyl)-2-phenylanthracen-9-yl]dibenzothiophen-1-yl]pyridine

2-[10-dibenzofuran-1-yl-3-(4-phenylphenyl)anthracen-9-yl]-6-[6-[10-(4-naphthalen-1-ylphenyl)-2-phenylanthracen-9-yl]dibenzothiophen-1-yl]pyridine (PubChem CID 166950023) has the molecular formula C91H55NOS and a molecular weight of 1210.51 g/mol. Its IUPAC name is 2-[10-dibenzofuran-1-yl-3-(4-phenylphenyl)anthracen-9-yl]-6-[6-[10-(4-naphthalen-1-ylphenyl)-2-phenylanthracen-9-yl]dibenzothiophen-1-yl]pyridine.

Molecular Properties

• Compound Name: 2-[10-dibenzofuran-1-yl-3-(4-phenylphenyl)anthracen-9-yl]-6-[6-[10-(4-naphthalen-1-ylphenyl)-2-phenylanthracen-9-yl]dibenzothiophen-1-yl]pyridine
• PubChem CID: 166950023
• Molecular Formula: C91H55NOS
• Molecular Weight: 1210.51 g/mol
• Exact Mass: 1209.40
• IUPAC Name: 2-[10-dibenzofuran-1-yl-3-(4-phenylphenyl)anthracen-9-yl]-6-[6-[10-(4-naphthalen-1-ylphenyl)-2-phenylanthracen-9-yl]dibenzothiophen-1-yl]pyridine
• SMILES: c1ccc(-c2ccc(-c3ccc4c(-c5cccc(-c6cccc7sc8c(-c9c%10ccccc%10c(-c%10ccc(-c%11cccc%12ccccc%11%12)cc%10)c%10ccc(-c%11ccccc%11)cc9%10)cccc8c67)n5)c5ccccc5c(-c5cccc6oc7ccccc7c56)c4c3)cc2)cc1
• InChI: InChI=1S/C91H55NOS/c1-3-20-56(21-4-1)58-42-44-59(45-43-58)64-51-53-72-79(55-64)86(75-34-17-40-83-89(75)74-31-13-14-39-82(74)93-83)69-29-11-12-30-70(69)88(72)81-38-19-37-80(92-81)73-33-18-41-84-90(73)77-36-16-35-76(91(77)94-84)87-68-28-10-9-27-67(68)85(71-52-50-63(54-78(71)87)57-22-5-2-6-23-57)62-48-46-61(47-49-62)66-32-15-25-60-24-7-8-26-65(60)66/h1-55H
• InChIKey: YSAUDXJCNCFLCT-UHFFFAOYSA-N
• XLogP: 26.12
• TPSA: 26.03 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1210.51
LogP ≤ 5	26.12
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 2-[10-dibenzofuran-1-yl-3-(4-phenylphenyl)anthracen-9-yl]-6-[6-[10-(4-naphthalen-1-ylphenyl)-2-phenylanthracen-9-yl]dibenzothiophen-1-yl]pyridine?

The IUPAC name of 2-[10-dibenzofuran-1-yl-3-(4-phenylphenyl)anthracen-9-yl]-6-[6-[10-(4-naphthalen-1-ylphenyl)-2-phenylanthracen-9-yl]dibenzothiophen-1-yl]pyridine (CID 166950023) is 2-[10-dibenzofuran-1-yl-3-(4-phenylphenyl)anthracen-9-yl]-6-[6-[10-(4-naphthalen-1-ylphenyl)-2-phenylanthracen-9-yl]dibenzothiophen-1-yl]pyridine.

What is the SMILES notation for 2-[10-dibenzofuran-1-yl-3-(4-phenylphenyl)anthracen-9-yl]-6-[6-[10-(4-naphthalen-1-ylphenyl)-2-phenylanthracen-9-yl]dibenzothiophen-1-yl]pyridine?

The canonical SMILES for 2-[10-dibenzofuran-1-yl-3-(4-phenylphenyl)anthracen-9-yl]-6-[6-[10-(4-naphthalen-1-ylphenyl)-2-phenylanthracen-9-yl]dibenzothiophen-1-yl]pyridine is c1ccc(-c2ccc(-c3ccc4c(-c5cccc(-c6cccc7sc8c(-c9c%10ccccc%10c(-c%10ccc(-c%11cccc%12ccccc%11%12)cc%10)c%10ccc(-c%11ccccc%11)cc9%10)cccc8c67)n5)c5ccccc5c(-c5cccc6oc7ccccc7c56)c4c3)cc2)cc1.

What is the InChIKey of 2-[10-dibenzofuran-1-yl-3-(4-phenylphenyl)anthracen-9-yl]-6-[6-[10-(4-naphthalen-1-ylphenyl)-2-phenylanthracen-9-yl]dibenzothiophen-1-yl]pyridine?

The InChIKey is YSAUDXJCNCFLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H55NOS/c1-3-20-56(21-4-1)58-42-44-59(45-43-58)64-51-53-72-79(55-64)86(75-34-17-40-83-89(75)74-31-13-14-39-82(74)93-83)69-29-11-12-30-70(69)88(72)81-38-19-37-80(92-81)73-33-18-41-84-90(73)77-36-16-35-76(91(77)94-84)87-68-28-10-9-27-67(68)85(71-52-50-63(54-78(71)87)57-22-5-2-6-23-57)62-48-46-61(47-49-62)66-32-15-25-60-24-7-8-26-65(60)66/h1-55H.

What are the key properties of 2-[10-dibenzofuran-1-yl-3-(4-phenylphenyl)anthracen-9-yl]-6-[6-[10-(4-naphthalen-1-ylphenyl)-2-phenylanthracen-9-yl]dibenzothiophen-1-yl]pyridine?

2-[10-dibenzofuran-1-yl-3-(4-phenylphenyl)anthracen-9-yl]-6-[6-[10-(4-naphthalen-1-ylphenyl)-2-phenylanthracen-9-yl]dibenzothiophen-1-yl]pyridine has a molecular weight of 1210.51 g/mol, XLogP of 26.12, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-dibenzofuran-1-yl-3-(4-phenylphenyl)anthracen-9-yl]-6-[6-[10-(4-naphthalen-1-ylphenyl)-2-phenylanthracen-9-yl]dibenzothiophen-1-yl]pyridine is sourced from PubChem (CID 166950023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).