N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine

C78H55N — CID 142480849

About N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine (PubChem CID 142480849) has the molecular formula C78H55N and a molecular weight of 1006.31 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine
• PubChem CID: 142480849
• Molecular Formula: C78H55N
• Molecular Weight: 1006.31 g/mol
• Exact Mass: 1005.43
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21
• InChI: InChI=1S/C78H55N/c1-75(2)63-37-18-15-34-58(63)60-48-46-56(50-71(60)75)79(73-45-25-44-70-74(73)62-36-17-20-39-65(62)76(70,52-26-7-3-8-27-52)53-28-9-4-10-29-53)57-47-49-61-59-35-16-19-38-64(59)78(72(61)51-57)68-42-23-21-40-66(68)77(54-30-11-5-12-31-54,55-32-13-6-14-33-55)67-41-22-24-43-69(67)78/h3-51H,1-2H3
• InChIKey: MTOJXCZPHLECTL-UHFFFAOYSA-N
• XLogP: 18.89
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1006.31
LogP ≤ 5	18.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine (CID 142480849) is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine?

The InChIKey is MTOJXCZPHLECTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H55N/c1-75(2)63-37-18-15-34-58(63)60-48-46-56(50-71(60)75)79(73-45-25-44-70-74(73)62-36-17-20-39-65(62)76(70,52-26-7-3-8-27-52)53-28-9-4-10-29-53)57-47-49-61-59-35-16-19-38-64(59)78(72(61)51-57)68-42-23-21-40-66(68)77(54-30-11-5-12-31-54,55-32-13-6-14-33-55)67-41-22-24-43-69(67)78/h3-51H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine?

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine has a molecular weight of 1006.31 g/mol, XLogP of 18.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine is sourced from PubChem (CID 142480849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).