2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine

C103H70N2 — CID 153313800

About 2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine

2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine (PubChem CID 153313800) has the molecular formula C103H70N2 and a molecular weight of 1345.77 g/mol. Its IUPAC name is 2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine.

Molecular Properties

• Compound Name: 2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
• PubChem CID: 153313800
• Molecular Formula: C103H70N2
• Molecular Weight: 1345.77 g/mol
• Exact Mass: 1344.62
• IUPAC Name: 2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
• SMILES: [2H]c1c([2H])c([2H])c(C2(c3ccc(C=C)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(c6ccc(C=C)cc6)(c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6ccccc6-7)cc54)cc32)c([2H])c1[2H]
• InChI: InChI=1S/C103H70N2/c1-3-69-41-49-77(50-42-69)101(75-29-13-7-14-30-75)93-37-21-17-33-85(93)89-61-57-81(65-97(89)101)104(79-53-45-73(46-54-79)71-25-9-5-10-26-71)83-59-63-91-87-35-19-23-39-95(87)103(99(91)67-83)96-40-24-20-36-88(96)92-64-60-84(68-100(92)103)105(80-55-47-74(48-56-80)72-27-11-6-12-28-72)82-58-62-90-86-34-18-22-38-94(86)102(98(90)66-82,76-31-15-8-16-32-76)78-51-43-70(4-2)44-52-78/h3-68H,1-2H2/i7D,8D,13D,14D,15D,16D,29D,30D,31D,32D
• InChIKey: IEZYXXYINLXIHC-KAHVZDBCSA-N
• XLogP: 26.32
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1345.77
LogP ≤ 5	26.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine?

The IUPAC name of 2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine (CID 153313800) is 2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine.

What is the SMILES notation for 2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine?

The canonical SMILES for 2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine is [2H]c1c([2H])c([2H])c(C2(c3ccc(C=C)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(c6ccc(C=C)cc6)(c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6ccccc6-7)cc54)cc32)c([2H])c1[2H].

What is the InChIKey of 2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine?

The InChIKey is IEZYXXYINLXIHC-KAHVZDBCSA-N. The full InChI is InChI=1S/C103H70N2/c1-3-69-41-49-77(50-42-69)101(75-29-13-7-14-30-75)93-37-21-17-33-85(93)89-61-57-81(65-97(89)101)104(79-53-45-73(46-54-79)71-25-9-5-10-26-71)83-59-63-91-87-35-19-23-39-95(87)103(99(91)67-83)96-40-24-20-36-88(96)92-64-60-84(68-100(92)103)105(80-55-47-74(48-56-80)72-27-11-6-12-28-72)82-58-62-90-86-34-18-22-38-94(86)102(98(90)66-82,76-31-15-8-16-32-76)78-51-43-70(4-2)44-52-78/h3-68H,1-2H2/i7D,8D,13D,14D,15D,16D,29D,30D,31D,32D.

What are the key properties of 2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine?

2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine has a molecular weight of 1345.77 g/mol, XLogP of 26.32, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine is sourced from PubChem (CID 153313800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).