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

C84H50O2 — CID 166671529

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

1-[4-[3-[10-(4-dibenzofuran-4-ylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-10-naphthalen-2-ylanthracen-9-yl]phenyl]dibenzofuran (PubChem CID 166671529) has the molecular formula C84H50O2 and a molecular weight of 1091.32 g/mol. Its IUPAC name is 1-[4-[3-[10-(4-dibenzofuran-4-ylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-10-naphthalen-2-ylanthracen-9-yl]phenyl]dibenzofuran.

Molecular Properties

• Compound Name: 1-[4-[3-[10-(4-dibenzofuran-4-ylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-10-naphthalen-2-ylanthracen-9-yl]phenyl]dibenzofuran
• PubChem CID: 166671529
• Molecular Formula: C84H50O2
• Molecular Weight: 1091.32 g/mol
• Exact Mass: 1090.38
• IUPAC Name: 1-[4-[3-[10-(4-dibenzofuran-4-ylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-10-naphthalen-2-ylanthracen-9-yl]phenyl]dibenzofuran
• SMILES: c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5ccc6c(-c7ccc(-c8cccc9oc%10ccccc%10c89)cc7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)cc34)ccc2c1
• InChI: InChI=1S/C84H50O2/c1-3-17-57-47-61(41-31-51(57)15-1)81-68-22-7-5-20-66(68)79(55-37-33-53(34-38-55)63-25-14-30-78-83(63)73-24-10-12-29-77(73)85-78)70-45-43-59(49-74(70)81)60-44-46-71-75(50-60)82(62-42-32-52-16-2-4-18-58(52)48-62)69-23-8-6-21-67(69)80(71)56-39-35-54(36-40-56)64-26-13-27-72-65-19-9-11-28-76(65)86-84(64)72/h1-50H
• InChIKey: WKZFUGVFQFHOHF-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-[4-[3-[10-(4-dibenzofuran-4-ylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-10-naphthalen-2-ylanthracen-9-yl]phenyl]dibenzofuran?

The IUPAC name of 1-[4-[3-[10-(4-dibenzofuran-4-ylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-10-naphthalen-2-ylanthracen-9-yl]phenyl]dibenzofuran (CID 166671529) is 1-[4-[3-[10-(4-dibenzofuran-4-ylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-10-naphthalen-2-ylanthracen-9-yl]phenyl]dibenzofuran.

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

The canonical SMILES for 1-[4-[3-[10-(4-dibenzofuran-4-ylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-10-naphthalen-2-ylanthracen-9-yl]phenyl]dibenzofuran is c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5ccc6c(-c7ccc(-c8cccc9oc%10ccccc%10c89)cc7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)cc34)ccc2c1.

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

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

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

1-[4-[3-[10-(4-dibenzofuran-4-ylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-10-naphthalen-2-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-[4-[3-[10-(4-dibenzofuran-4-ylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-10-naphthalen-2-ylanthracen-9-yl]phenyl]dibenzofuran is sourced from PubChem (CID 166671529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).