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

C64H46N2 — CID 168791349

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

2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine (PubChem CID 168791349) 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-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine.

Molecular Properties

• Compound Name: 2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
• PubChem CID: 168791349
• 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-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccccc2N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc42)c2ccccc2-3)c([2H])c1[2H]
• InChI: InChI=1S/C64H46N2/c1-63(2)56-30-16-12-27-50(56)53-37-35-47(40-59(53)63)66(62-33-19-15-26-49(62)43-20-6-3-7-21-43)48-36-39-55-52-29-14-18-32-58(52)64(61(55)42-48)57-31-17-13-28-51(57)54-38-34-46(41-60(54)64)65(44-22-8-4-9-23-44)45-24-10-5-11-25-45/h3-42H,1-2H3/i3D,6D,7D,20D,21D
• InChIKey: LSXKFGXNFHAGRC-OOBRMTQKSA-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-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine?

The IUPAC name of 2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine (CID 168791349) is 2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine.

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

The canonical SMILES for 2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine is [2H]c1c([2H])c([2H])c(-c2ccccc2N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc42)c2ccccc2-3)c([2H])c1[2H].

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

The InChIKey is LSXKFGXNFHAGRC-OOBRMTQKSA-N. The full InChI is InChI=1S/C64H46N2/c1-63(2)56-30-16-12-27-50(56)53-37-35-47(40-59(53)63)66(62-33-19-15-26-49(62)43-20-6-3-7-21-43)48-36-39-55-52-29-14-18-32-58(52)64(61(55)42-48)57-31-17-13-28-51(57)54-38-34-46(41-60(54)64)65(44-22-8-4-9-23-44)45-24-10-5-11-25-45/h3-42H,1-2H3/i3D,6D,7D,20D,21D.

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

2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-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-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine is sourced from PubChem (CID 168791349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).