N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine

C57H37NO2 — CID 146365105

About N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine

N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine (PubChem CID 146365105) has the molecular formula C57H37NO2 and a molecular weight of 767.93 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine.

Molecular Properties

• Compound Name: N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine
• PubChem CID: 146365105
• Molecular Formula: C57H37NO2
• Molecular Weight: 767.93 g/mol
• Exact Mass: 767.28
• IUPAC Name: N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine
• SMILES: c1ccc(-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4oc5c(c4c3)Oc3ccccc3C53c4ccccc4-c4ccccc43)c2)cc1
• InChI: InChI=1S/C57H37NO2/c1-4-17-38(18-5-1)41-23-16-24-44(34-41)58(46-35-42(39-19-6-2-7-20-39)33-43(36-46)40-21-8-3-9-22-40)45-31-32-53-49(37-45)55-56(60-53)57(52-29-14-15-30-54(52)59-55)50-27-12-10-25-47(50)48-26-11-13-28-51(48)57/h1-37H
• InChIKey: ZYLWVEPRPWAVMY-UHFFFAOYSA-N
• XLogP: 15.37
• TPSA: 25.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.93
LogP ≤ 5	15.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine?

The IUPAC name of N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine (CID 146365105) is N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine.

What is the SMILES notation for N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine?

The canonical SMILES for N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine is c1ccc(-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4oc5c(c4c3)Oc3ccccc3C53c4ccccc4-c4ccccc43)c2)cc1.

What is the InChIKey of N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine?

The InChIKey is ZYLWVEPRPWAVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37NO2/c1-4-17-38(18-5-1)41-23-16-24-44(34-41)58(46-35-42(39-19-6-2-7-20-39)33-43(36-46)40-21-8-3-9-22-40)45-31-32-53-49(37-45)55-56(60-53)57(52-29-14-15-30-54(52)59-55)50-27-12-10-25-47(50)48-26-11-13-28-51(48)57/h1-37H.

What are the key properties of N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine?

N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine has a molecular weight of 767.93 g/mol, XLogP of 15.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine is sourced from PubChem (CID 146365105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).