10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]

C93H59N3 — CID 102164734

About 10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]

10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene] (PubChem CID 102164734) has the molecular formula C93H59N3 and a molecular weight of 1218.52 g/mol. Its IUPAC name is 10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
• PubChem CID: 102164734
• Molecular Formula: C93H59N3
• Molecular Weight: 1218.52 g/mol
• Exact Mass: 1217.47
• IUPAC Name: 10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
• SMILES: c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccc(-c5ccc6c(c5)C5(c7cc(-c8ccc9c(c8)C8(c%10ccccc%10-9)c9ccccc9N(c9ccccc9)c9ccccc98)ccc7-6)c6ccccc6N(c6ccccc6)c6ccccc65)cc43)c3ccccc32)cc1
• InChI: InChI=1S/C93H59N3/c1-4-26-64(27-5-1)94-85-42-20-14-36-75(85)91(76-37-15-21-43-86(76)94)73-34-12-10-32-67(73)69-52-48-60(56-81(69)91)62-50-54-71-72-55-51-63(59-84(72)93(83(71)58-62)79-40-18-24-46-89(79)96(66-30-8-3-9-31-66)90-47-25-19-41-80(90)93)61-49-53-70-68-33-11-13-35-74(68)92(82(70)57-61)77-38-16-22-44-87(77)95(65-28-6-2-7-29-65)88-45-23-17-39-78(88)92/h1-59H
• InChIKey: FLGATECAEGDVRF-UHFFFAOYSA-N
• XLogP: 23.46
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1218.52
LogP ≤ 5	23.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]?

The IUPAC name of 10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene] (CID 102164734) is 10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene].

What is the SMILES notation for 10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]?

The canonical SMILES for 10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene] is c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccc(-c5ccc6c(c5)C5(c7cc(-c8ccc9c(c8)C8(c%10ccccc%10-9)c9ccccc9N(c9ccccc9)c9ccccc98)ccc7-6)c6ccccc6N(c6ccccc6)c6ccccc65)cc43)c3ccccc32)cc1.

What is the InChIKey of 10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]?

The InChIKey is FLGATECAEGDVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H59N3/c1-4-26-64(27-5-1)94-85-42-20-14-36-75(85)91(76-37-15-21-43-86(76)94)73-34-12-10-32-67(73)69-52-48-60(56-81(69)91)62-50-54-71-72-55-51-63(59-84(72)93(83(71)58-62)79-40-18-24-46-89(79)96(66-30-8-3-9-31-66)90-47-25-19-41-80(90)93)61-49-53-70-68-33-11-13-35-74(68)92(82(70)57-61)77-38-16-22-44-87(77)95(65-28-6-2-7-29-65)88-45-23-17-39-78(88)92/h1-59H.

What are the key properties of 10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]?

10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene] has a molecular weight of 1218.52 g/mol, XLogP of 23.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 102164734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).