8,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran

C60H34O — CID 170940136

About 8,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran

8,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran (PubChem CID 170940136) has the molecular formula C60H34O and a molecular weight of 770.93 g/mol. Its IUPAC name is 8,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran.

Molecular Properties

• Compound Name: 8,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
• PubChem CID: 170940136
• Molecular Formula: C60H34O
• Molecular Weight: 770.93 g/mol
• Exact Mass: 770.26
• IUPAC Name: 8,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
• SMILES: c1ccc(-c2ccc3ccc4c(-c5cc(-c6ccc7ccc8c(-c9ccccc9)ccc9ccc6c7c98)c6oc7c8ccccc8ccc7c6c5)ccc5ccc2c3c54)cc1
• InChI: InChI=1S/C60H34O/c1-3-9-35(10-4-1)43-24-16-38-22-30-50-45(26-18-40-20-28-48(43)55(38)57(40)50)42-33-53(60-54(34-42)52-32-15-37-13-7-8-14-46(37)59(52)61-60)47-27-19-41-21-29-49-44(36-11-5-2-6-12-36)25-17-39-23-31-51(47)58(41)56(39)49/h1-34H
• InChIKey: LFNCAHZIUHGCNY-UHFFFAOYSA-N
• XLogP: 17.20
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.93
LogP ≤ 5	17.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran?

The IUPAC name of 8,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran (CID 170940136) is 8,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran.

What is the SMILES notation for 8,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran?

The canonical SMILES for 8,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran is c1ccc(-c2ccc3ccc4c(-c5cc(-c6ccc7ccc8c(-c9ccccc9)ccc9ccc6c7c98)c6oc7c8ccccc8ccc7c6c5)ccc5ccc2c3c54)cc1.

What is the InChIKey of 8,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran?

The InChIKey is LFNCAHZIUHGCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34O/c1-3-9-35(10-4-1)43-24-16-38-22-30-50-45(26-18-40-20-28-48(43)55(38)57(40)50)42-33-53(60-54(34-42)52-32-15-37-13-7-8-14-46(37)59(52)61-60)47-27-19-41-21-29-49-44(36-11-5-2-6-12-36)25-17-39-23-31-51(47)58(41)56(39)49/h1-34H.

What are the key properties of 8,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran?

8,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran has a molecular weight of 770.93 g/mol, XLogP of 17.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 8,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 170940136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).