2-N-(9,9-dimethylfluoren-2-yl)-2-N'-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine

C62H44N2 — CID 168791499

About 2-N-(9,9-dimethylfluoren-2-yl)-2-N'-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine

2-N-(9,9-dimethylfluoren-2-yl)-2-N'-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine (PubChem CID 168791499) has the molecular formula C62H44N2 and a molecular weight of 824.09 g/mol. Its IUPAC name is 2-N-(9,9-dimethylfluoren-2-yl)-2-N'-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-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'-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
• PubChem CID: 168791499
• Molecular Formula: C62H44N2
• Molecular Weight: 824.09 g/mol
• Exact Mass: 823.39
• IUPAC Name: 2-N-(9,9-dimethylfluoren-2-yl)-2-N'-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
• SMILES: [2H]c1c([2H])c([2H])c2c([2H])c(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccc(N(c6ccccc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc53)c3ccccc3-4)c([2H])c([2H])c2c1[2H]
• InChI: InChI=1S/C62H44N2/c1-61(2)55-26-14-11-23-49(55)52-34-31-46(38-58(52)61)64(44-21-7-4-8-22-44)48-33-36-54-51-25-13-16-28-57(51)62(60(54)40-48)56-27-15-12-24-50(56)53-35-32-47(39-59(53)62)63(43-19-5-3-6-20-43)45-30-29-41-17-9-10-18-42(41)37-45/h3-40H,1-2H3/i9D,10D,17D,18D,29D,30D,37D
• InChIKey: YLJBCKBMMIZQON-AKVCQHRDSA-N
• XLogP: 16.43
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	824.09
LogP ≤ 5	16.43
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'-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-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'-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine (CID 168791499) is 2-N-(9,9-dimethylfluoren-2-yl)-2-N'-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-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'-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-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'-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine is [2H]c1c([2H])c([2H])c2c([2H])c(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccc(N(c6ccccc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc53)c3ccccc3-4)c([2H])c([2H])c2c1[2H].

What is the InChIKey of 2-N-(9,9-dimethylfluoren-2-yl)-2-N'-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine?

The InChIKey is YLJBCKBMMIZQON-AKVCQHRDSA-N. The full InChI is InChI=1S/C62H44N2/c1-61(2)55-26-14-11-23-49(55)52-34-31-46(38-58(52)61)64(44-21-7-4-8-22-44)48-33-36-54-51-25-13-16-28-57(51)62(60(54)40-48)56-27-15-12-24-50(56)53-35-32-47(39-59(53)62)63(43-19-5-3-6-20-43)45-30-29-41-17-9-10-18-42(41)37-45/h3-40H,1-2H3/i9D,10D,17D,18D,29D,30D,37D.

What are the key properties of 2-N-(9,9-dimethylfluoren-2-yl)-2-N'-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine?

2-N-(9,9-dimethylfluoren-2-yl)-2-N'-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine has a molecular weight of 824.09 g/mol, XLogP of 16.43, 6 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'-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine is sourced from PubChem (CID 168791499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).