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

C79H52N2 — CID 155333180

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

10-[10-(9,9-dimethylfluoren-4-yl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene] (PubChem CID 155333180) has the molecular formula C79H52N2 and a molecular weight of 1029.30 g/mol. Its IUPAC name is 10-[10-(9,9-dimethylfluoren-4-yl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 10-[10-(9,9-dimethylfluoren-4-yl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene]
• PubChem CID: 155333180
• Molecular Formula: C79H52N2
• Molecular Weight: 1029.30 g/mol
• Exact Mass: 1028.41
• IUPAC Name: 10-[10-(9,9-dimethylfluoren-4-yl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene]
• SMILES: CC1(C)c2ccccc2-c2c(-c3c4cccc(N5c6ccccc6C6(c7ccccc7-c7ccccc76)c6ccccc65)c4cc4c(N5c6ccccc6C6(c7ccccc7-c7ccccc76)c6ccccc65)cccc34)cccc21
• InChI: InChI=1S/C79H52N2/c1-77(2)59-32-8-7-28-55(59)76-56(31-21-41-68(76)77)75-53-29-22-46-69(80-71-42-17-13-37-64(71)78(65-38-14-18-43-72(65)80)60-33-9-3-24-49(60)50-25-4-10-34-61(50)78)57(53)48-58-54(75)30-23-47-70(58)81-73-44-19-15-39-66(73)79(67-40-16-20-45-74(67)81)62-35-11-5-26-51(62)52-27-6-12-36-63(52)79/h3-48H,1-2H3
• InChIKey: BZJJSNQAVXJHLY-UHFFFAOYSA-N
• XLogP: 20.26
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1029.30
LogP ≤ 5	20.26
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-(9,9-dimethylfluoren-4-yl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene]?

The IUPAC name of 10-[10-(9,9-dimethylfluoren-4-yl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene] (CID 155333180) is 10-[10-(9,9-dimethylfluoren-4-yl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene].

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

The canonical SMILES for 10-[10-(9,9-dimethylfluoren-4-yl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene] is CC1(C)c2ccccc2-c2c(-c3c4cccc(N5c6ccccc6C6(c7ccccc7-c7ccccc76)c6ccccc65)c4cc4c(N5c6ccccc6C6(c7ccccc7-c7ccccc76)c6ccccc65)cccc34)cccc21.

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

The InChIKey is BZJJSNQAVXJHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H52N2/c1-77(2)59-32-8-7-28-55(59)76-56(31-21-41-68(76)77)75-53-29-22-46-69(80-71-42-17-13-37-64(71)78(65-38-14-18-43-72(65)80)60-33-9-3-24-49(60)50-25-4-10-34-61(50)78)57(53)48-58-54(75)30-23-47-70(58)81-73-44-19-15-39-66(73)79(67-40-16-20-45-74(67)81)62-35-11-5-26-51(62)52-27-6-12-36-63(52)79/h3-48H,1-2H3.

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

10-[10-(9,9-dimethylfluoren-4-yl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene] has a molecular weight of 1029.30 g/mol, XLogP of 20.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[10-(9,9-dimethylfluoren-4-yl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 155333180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).