10-[10-(4-phenylphenyl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene]

C76H48N2 — CID 155333863

About 10-[10-(4-phenylphenyl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene]

10-[10-(4-phenylphenyl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene] (PubChem CID 155333863) has the molecular formula C76H48N2 and a molecular weight of 989.23 g/mol. Its IUPAC name is 10-[10-(4-phenylphenyl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 10-[10-(4-phenylphenyl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene]
• PubChem CID: 155333863
• Molecular Formula: C76H48N2
• Molecular Weight: 989.23 g/mol
• Exact Mass: 988.38
• IUPAC Name: 10-[10-(4-phenylphenyl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene]
• SMILES: c1ccc(-c2ccc(-c3c4cccc(N5c6ccccc6C6(c7ccccc7-c7ccccc76)c6ccccc65)c4cc4c(N5c6ccccc6C6(c7ccccc7-c7ccccc76)c6ccccc65)cccc34)cc2)cc1
• InChI: InChI=1S/C76H48N2/c1-2-22-49(23-3-1)50-44-46-51(47-45-50)74-56-28-20-42-68(77-70-38-16-12-34-64(70)75(65-35-13-17-39-71(65)77)60-30-8-4-24-52(60)53-25-5-9-31-61(53)75)58(56)48-59-57(74)29-21-43-69(59)78-72-40-18-14-36-66(72)76(67-37-15-19-41-73(67)78)62-32-10-6-26-54(62)55-27-7-11-33-63(55)76/h1-48H
• InChIKey: FBJQCWOMDKQGFB-UHFFFAOYSA-N
• XLogP: 19.62
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	989.23
LogP ≤ 5	19.62
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 10-[10-(4-phenylphenyl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene]?

The IUPAC name of 10-[10-(4-phenylphenyl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene] (CID 155333863) is 10-[10-(4-phenylphenyl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene].

What is the SMILES notation for 10-[10-(4-phenylphenyl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene]?

The canonical SMILES for 10-[10-(4-phenylphenyl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene] is c1ccc(-c2ccc(-c3c4cccc(N5c6ccccc6C6(c7ccccc7-c7ccccc76)c6ccccc65)c4cc4c(N5c6ccccc6C6(c7ccccc7-c7ccccc76)c6ccccc65)cccc34)cc2)cc1.

What is the InChIKey of 10-[10-(4-phenylphenyl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene]?

The InChIKey is FBJQCWOMDKQGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H48N2/c1-2-22-49(23-3-1)50-44-46-51(47-45-50)74-56-28-20-42-68(77-70-38-16-12-34-64(70)75(65-35-13-17-39-71(65)77)60-30-8-4-24-52(60)53-25-5-9-31-61(53)75)58(56)48-59-57(74)29-21-43-69(59)78-72-40-18-14-36-66(72)76(67-37-15-19-41-73(67)78)62-32-10-6-26-54(62)55-27-7-11-33-63(55)76/h1-48H.

What are the key properties of 10-[10-(4-phenylphenyl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene]?

10-[10-(4-phenylphenyl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene] has a molecular weight of 989.23 g/mol, XLogP of 19.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[10-(4-phenylphenyl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 155333863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).