2-N'-(9,9-dimethylfluoren-2-yl)-2-N-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N',1'-triphenyl-9,9'-spirobi[fluorene]-2,2'-diamine

C64H46N2 — CID 168791346

About 2-N'-(9,9-dimethylfluoren-2-yl)-2-N-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N',1'-triphenyl-9,9'-spirobi[fluorene]-2,2'-diamine

2-N'-(9,9-dimethylfluoren-2-yl)-2-N-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N',1'-triphenyl-9,9'-spirobi[fluorene]-2,2'-diamine (PubChem CID 168791346) has the molecular formula C64H46N2 and a molecular weight of 848.12 g/mol. Its IUPAC name is 2-N'-(9,9-dimethylfluoren-2-yl)-2-N-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N',1'-triphenyl-9,9'-spirobi[fluorene]-2,2'-diamine.

Molecular Properties

• Compound Name: 2-N'-(9,9-dimethylfluoren-2-yl)-2-N-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N',1'-triphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
• PubChem CID: 168791346
• Molecular Formula: C64H46N2
• Molecular Weight: 848.12 g/mol
• Exact Mass: 847.40
• IUPAC Name: 2-N'-(9,9-dimethylfluoren-2-yl)-2-N-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N',1'-triphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
• SMILES: [2H]c1c([2H])c([2H])c(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c(-c4ccccc4)c32)c([2H])c1[2H]
• InChI: InChI=1S/C64H46N2/c1-63(2)55-32-18-15-29-49(55)52-37-36-48(41-58(52)63)66(46-27-13-6-14-28-46)60-40-39-54-51-31-17-20-34-57(51)64(62(54)61(60)43-21-7-3-8-22-43)56-33-19-16-30-50(56)53-38-35-47(42-59(53)64)65(44-23-9-4-10-24-44)45-25-11-5-12-26-45/h3-42H,1-2H3/i4D,9D,10D,23D,24D
• InChIKey: ULOZXQXTCYQPKK-AMYKWAQNSA-N
• XLogP: 16.94
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.12
LogP ≤ 5	16.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-N'-(9,9-dimethylfluoren-2-yl)-2-N-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N',1'-triphenyl-9,9'-spirobi[fluorene]-2,2'-diamine?

The IUPAC name of 2-N'-(9,9-dimethylfluoren-2-yl)-2-N-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N',1'-triphenyl-9,9'-spirobi[fluorene]-2,2'-diamine (CID 168791346) is 2-N'-(9,9-dimethylfluoren-2-yl)-2-N-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N',1'-triphenyl-9,9'-spirobi[fluorene]-2,2'-diamine.

What is the SMILES notation for 2-N'-(9,9-dimethylfluoren-2-yl)-2-N-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N',1'-triphenyl-9,9'-spirobi[fluorene]-2,2'-diamine?

The canonical SMILES for 2-N'-(9,9-dimethylfluoren-2-yl)-2-N-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N',1'-triphenyl-9,9'-spirobi[fluorene]-2,2'-diamine is [2H]c1c([2H])c([2H])c(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c(-c4ccccc4)c32)c([2H])c1[2H].

What is the InChIKey of 2-N'-(9,9-dimethylfluoren-2-yl)-2-N-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N',1'-triphenyl-9,9'-spirobi[fluorene]-2,2'-diamine?

The InChIKey is ULOZXQXTCYQPKK-AMYKWAQNSA-N. The full InChI is InChI=1S/C64H46N2/c1-63(2)55-32-18-15-29-49(55)52-37-36-48(41-58(52)63)66(46-27-13-6-14-28-46)60-40-39-54-51-31-17-20-34-57(51)64(62(54)61(60)43-21-7-3-8-22-43)56-33-19-16-30-50(56)53-38-35-47(42-59(53)64)65(44-23-9-4-10-24-44)45-25-11-5-12-26-45/h3-42H,1-2H3/i4D,9D,10D,23D,24D.

What are the key properties of 2-N'-(9,9-dimethylfluoren-2-yl)-2-N-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N',1'-triphenyl-9,9'-spirobi[fluorene]-2,2'-diamine?

2-N'-(9,9-dimethylfluoren-2-yl)-2-N-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N',1'-triphenyl-9,9'-spirobi[fluorene]-2,2'-diamine has a molecular weight of 848.12 g/mol, XLogP of 16.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N'-(9,9-dimethylfluoren-2-yl)-2-N-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N',1'-triphenyl-9,9'-spirobi[fluorene]-2,2'-diamine is sourced from PubChem (CID 168791346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).