N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine

C81H52N2 — CID 135168927

About N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine

N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine (PubChem CID 135168927) has the molecular formula C81H52N2 and a molecular weight of 1053.32 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine
• PubChem CID: 135168927
• Molecular Formula: C81H52N2
• Molecular Weight: 1053.32 g/mol
• Exact Mass: 1052.41
• IUPAC Name: N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine
• SMILES: c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cc43)c3ccccc32)cc1
• InChI: InChI=1S/C81H52N2/c1-4-25-53(26-5-1)79(54-27-6-2-7-28-54)65-36-15-10-33-60(65)62-49-47-56(51-73(62)79)82(77-46-24-43-72-78(77)64-35-14-19-40-69(64)80(72)66-37-16-11-31-58(66)59-32-12-17-38-67(59)80)57-48-50-63-61-34-13-18-39-68(61)81(74(63)52-57)70-41-20-22-44-75(70)83(55-29-8-3-9-30-55)76-45-23-21-42-71(76)81/h1-52H
• InChIKey: TZUFKEONRYEZRB-UHFFFAOYSA-N
• XLogP: 20.01
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1053.32
LogP ≤ 5	20.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine?

The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine (CID 135168927) is N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine.

What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine?

The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine is c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cc43)c3ccccc32)cc1.

What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine?

The InChIKey is TZUFKEONRYEZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H52N2/c1-4-25-53(26-5-1)79(54-27-6-2-7-28-54)65-36-15-10-33-60(65)62-49-47-56(51-73(62)79)82(77-46-24-43-72-78(77)64-35-14-19-40-69(64)80(72)66-37-16-11-31-58(66)59-32-12-17-38-67(59)80)57-48-50-63-61-34-13-18-39-68(61)81(74(63)52-57)70-41-20-22-44-75(70)83(55-29-8-3-9-30-55)76-45-23-21-42-71(76)81/h1-52H.

What are the key properties of N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine?

N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine has a molecular weight of 1053.32 g/mol, XLogP of 20.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine is sourced from PubChem (CID 135168927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).