3-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran

C46H34O — CID 58991761

About 3-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran

3-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran (PubChem CID 58991761) has the molecular formula C46H34O and a molecular weight of 602.78 g/mol. Its IUPAC name is 3-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran.

Molecular Properties

• Compound Name: 3-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran
• PubChem CID: 58991761
• Molecular Formula: C46H34O
• Molecular Weight: 602.78 g/mol
• Exact Mass: 602.26
• IUPAC Name: 3-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran
• SMILES: CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3cc(-c5cccc6ccccc56)ccc34)c3ccccc23)cc1
• InChI: InChI=1S/C46H34O/c1-46(2,3)33-23-19-30(20-24-33)44-38-14-6-8-16-40(38)45(41-17-9-7-15-39(41)44)32-22-26-37-36-25-21-31(27-42(36)47-43(37)28-32)35-18-10-12-29-11-4-5-13-34(29)35/h4-28H,1-3H3
• InChIKey: HFUWGWAXIMINCQ-UHFFFAOYSA-N
• XLogP: 13.34
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.78
LogP ≤ 5	13.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran?

The IUPAC name of 3-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran (CID 58991761) is 3-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran.

What is the SMILES notation for 3-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran?

The canonical SMILES for 3-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran is CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3cc(-c5cccc6ccccc56)ccc34)c3ccccc23)cc1.

What is the InChIKey of 3-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran?

The InChIKey is HFUWGWAXIMINCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34O/c1-46(2,3)33-23-19-30(20-24-33)44-38-14-6-8-16-40(38)45(41-17-9-7-15-39(41)44)32-22-26-37-36-25-21-31(27-42(36)47-43(37)28-32)35-18-10-12-29-11-4-5-13-34(29)35/h4-28H,1-3H3.

What are the key properties of 3-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran?

3-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran has a molecular weight of 602.78 g/mol, XLogP of 13.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran is sourced from PubChem (CID 58991761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).