3-[8-dibenzofuran-3-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran;4-[8-dibenzofuran-4-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran

C108H64O4 — CID 161354716

About 3-[8-dibenzofuran-3-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran;4-[8-dibenzofuran-4-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran

3-[8-dibenzofuran-3-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran;4-[8-dibenzofuran-4-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran (PubChem CID 161354716) has the molecular formula C108H64O4 and a molecular weight of 1425.70 g/mol. Its IUPAC name is 3-[8-dibenzofuran-3-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran;4-[8-dibenzofuran-4-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran.

Molecular Properties

• Compound Name: 3-[8-dibenzofuran-3-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran;4-[8-dibenzofuran-4-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran
• PubChem CID: 161354716
• Molecular Formula: C108H64O4
• Molecular Weight: 1425.70 g/mol
• Exact Mass: 1424.48
• IUPAC Name: 3-[8-dibenzofuran-3-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran;4-[8-dibenzofuran-4-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran
• SMILES: c1ccc(-c2cc(-c3c4cccc(-c5ccc6c(c5)oc5ccccc56)c4cc4c(-c5ccc6c(c5)oc5ccccc56)cccc34)c3ccccc3c2)cc1.c1ccc(-c2cc(-c3c4cccc(-c5cccc6c5oc5ccccc56)c4cc4c(-c5cccc6c5oc5ccccc56)cccc34)c3ccccc3c2)cc1
• InChI: InChI=1S/2C54H32O2/c1-2-14-33(15-3-1)35-30-34-16-4-5-17-36(34)49(31-35)52-41-22-10-20-37(43-24-12-26-45-39-18-6-8-28-50(39)55-53(43)45)47(41)32-48-38(21-11-23-42(48)52)44-25-13-27-46-40-19-7-9-29-51(40)56-54(44)46;1-2-12-33(13-3-1)37-28-34-14-4-5-15-40(34)49(29-37)54-45-20-10-18-38(35-24-26-43-41-16-6-8-22-50(41)55-52(43)30-35)47(45)32-48-39(19-11-21-46(48)54)36-25-27-44-42-17-7-9-23-51(42)56-53(44)31-36/h2*1-32H
• InChIKey: VOJQQPUNJGQBHF-UHFFFAOYSA-N
• XLogP: 31.23
• TPSA: 52.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1425.70
LogP ≤ 5	31.23
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 3-[8-dibenzofuran-3-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran;4-[8-dibenzofuran-4-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran?

The IUPAC name of 3-[8-dibenzofuran-3-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran;4-[8-dibenzofuran-4-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran (CID 161354716) is 3-[8-dibenzofuran-3-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran;4-[8-dibenzofuran-4-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran.

What is the SMILES notation for 3-[8-dibenzofuran-3-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran;4-[8-dibenzofuran-4-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran?

The canonical SMILES for 3-[8-dibenzofuran-3-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran;4-[8-dibenzofuran-4-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran is c1ccc(-c2cc(-c3c4cccc(-c5ccc6c(c5)oc5ccccc56)c4cc4c(-c5ccc6c(c5)oc5ccccc56)cccc34)c3ccccc3c2)cc1.c1ccc(-c2cc(-c3c4cccc(-c5cccc6c5oc5ccccc56)c4cc4c(-c5cccc6c5oc5ccccc56)cccc34)c3ccccc3c2)cc1.

What is the InChIKey of 3-[8-dibenzofuran-3-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran;4-[8-dibenzofuran-4-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran?

The InChIKey is VOJQQPUNJGQBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H32O2/c1-2-14-33(15-3-1)35-30-34-16-4-5-17-36(34)49(31-35)52-41-22-10-20-37(43-24-12-26-45-39-18-6-8-28-50(39)55-53(43)45)47(41)32-48-38(21-11-23-42(48)52)44-25-13-27-46-40-19-7-9-29-51(40)56-54(44)46;1-2-12-33(13-3-1)37-28-34-14-4-5-15-40(34)49(29-37)54-45-20-10-18-38(35-24-26-43-41-16-6-8-22-50(41)55-52(43)30-35)47(45)32-48-39(19-11-21-46(48)54)36-25-27-44-42-17-7-9-23-51(42)56-53(44)31-36/h2*1-32H.

What are the key properties of 3-[8-dibenzofuran-3-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran;4-[8-dibenzofuran-4-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran?

3-[8-dibenzofuran-3-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran;4-[8-dibenzofuran-4-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran has a molecular weight of 1425.70 g/mol, XLogP of 31.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[8-dibenzofuran-3-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran;4-[8-dibenzofuran-4-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran is sourced from PubChem (CID 161354716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).