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

C68H40O2 — CID 138749818

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

1-[3-(9-dibenzofuran-4-yl-10-phenylanthracen-2-yl)-10-naphthalen-2-ylanthracen-9-yl]dibenzofuran (PubChem CID 138749818) has the molecular formula C68H40O2 and a molecular weight of 889.07 g/mol. Its IUPAC name is 1-[3-(9-dibenzofuran-4-yl-10-phenylanthracen-2-yl)-10-naphthalen-2-ylanthracen-9-yl]dibenzofuran.

Molecular Properties

• Compound Name: 1-[3-(9-dibenzofuran-4-yl-10-phenylanthracen-2-yl)-10-naphthalen-2-ylanthracen-9-yl]dibenzofuran
• PubChem CID: 138749818
• Molecular Formula: C68H40O2
• Molecular Weight: 889.07 g/mol
• Exact Mass: 888.30
• IUPAC Name: 1-[3-(9-dibenzofuran-4-yl-10-phenylanthracen-2-yl)-10-naphthalen-2-ylanthracen-9-yl]dibenzofuran
• SMILES: c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3cc(-c4ccc5c(-c6cccc7oc8ccccc8c67)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)ccc23)cc1
• InChI: InChI=1S/C68H40O2/c1-2-17-42(18-3-1)63-48-21-6-9-24-51(48)66(57-28-14-26-54-47-20-10-12-29-60(47)70-68(54)57)59-40-45(34-36-52(59)63)44-35-37-53-58(39-44)64(46-33-32-41-16-4-5-19-43(41)38-46)49-22-7-8-23-50(49)65(53)56-27-15-31-62-67(56)55-25-11-13-30-61(55)69-62/h1-40H
• InChIKey: ABRVANPEOPXMAZ-UHFFFAOYSA-N
• XLogP: 19.59
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	889.07
LogP ≤ 5	19.59
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-[3-(9-dibenzofuran-4-yl-10-phenylanthracen-2-yl)-10-naphthalen-2-ylanthracen-9-yl]dibenzofuran?

The IUPAC name of 1-[3-(9-dibenzofuran-4-yl-10-phenylanthracen-2-yl)-10-naphthalen-2-ylanthracen-9-yl]dibenzofuran (CID 138749818) is 1-[3-(9-dibenzofuran-4-yl-10-phenylanthracen-2-yl)-10-naphthalen-2-ylanthracen-9-yl]dibenzofuran.

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

The canonical SMILES for 1-[3-(9-dibenzofuran-4-yl-10-phenylanthracen-2-yl)-10-naphthalen-2-ylanthracen-9-yl]dibenzofuran is c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3cc(-c4ccc5c(-c6cccc7oc8ccccc8c67)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)ccc23)cc1.

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

The InChIKey is ABRVANPEOPXMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H40O2/c1-2-17-42(18-3-1)63-48-21-6-9-24-51(48)66(57-28-14-26-54-47-20-10-12-29-60(47)70-68(54)57)59-40-45(34-36-52(59)63)44-35-37-53-58(39-44)64(46-33-32-41-16-4-5-19-43(41)38-46)49-22-7-8-23-50(49)65(53)56-27-15-31-62-67(56)55-25-11-13-30-61(55)69-62/h1-40H.

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

1-[3-(9-dibenzofuran-4-yl-10-phenylanthracen-2-yl)-10-naphthalen-2-ylanthracen-9-yl]dibenzofuran has a molecular weight of 889.07 g/mol, XLogP of 19.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(9-dibenzofuran-4-yl-10-phenylanthracen-2-yl)-10-naphthalen-2-ylanthracen-9-yl]dibenzofuran is sourced from PubChem (CID 138749818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).