N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2,7,7'-tritert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine

C82H81N — CID 177066973

About N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2,7,7'-tritert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine

N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2,7,7'-tritert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 177066973) has the molecular formula C82H81N and a molecular weight of 1080.56 g/mol. Its IUPAC name is N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2,7,7'-tritert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2,7,7'-tritert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
• PubChem CID: 177066973
• Molecular Formula: C82H81N
• Molecular Weight: 1080.56 g/mol
• Exact Mass: 1079.64
• IUPAC Name: N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2,7,7'-tritert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
• SMILES: CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)C4(c6cc(C(C)(C)C)ccc6-5)c5cc(C(C)(C)C)ccc5-c5ccc(C(C)(C)C)cc54)cc32)cc1
• InChI: InChI=1S/C82H81N/c1-76(2,3)54-28-32-56(33-29-54)81(57-34-30-55(31-35-57)77(4,5)6)70-27-20-19-26-64(70)68-44-39-62(50-74(68)81)83(61-25-21-24-53(46-61)52-22-17-16-18-23-52)63-40-45-69-67-43-38-60(80(13,14)15)49-73(67)82(75(69)51-63)71-47-58(78(7,8)9)36-41-65(71)66-42-37-59(48-72(66)82)79(10,11)12/h16-51H,1-15H3
• InChIKey: OBEOKBRKFNXMCN-UHFFFAOYSA-N
• XLogP: 22.02
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1080.56
LogP ≤ 5	22.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2,7,7'-tritert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine?

The IUPAC name of N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2,7,7'-tritert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine (CID 177066973) is N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2,7,7'-tritert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine.

What is the SMILES notation for N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2,7,7'-tritert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine?

The canonical SMILES for N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2,7,7'-tritert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine is CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)C4(c6cc(C(C)(C)C)ccc6-5)c5cc(C(C)(C)C)ccc5-c5ccc(C(C)(C)C)cc54)cc32)cc1.

What is the InChIKey of N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2,7,7'-tritert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine?

The InChIKey is OBEOKBRKFNXMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H81N/c1-76(2,3)54-28-32-56(33-29-54)81(57-34-30-55(31-35-57)77(4,5)6)70-27-20-19-26-64(70)68-44-39-62(50-74(68)81)83(61-25-21-24-53(46-61)52-22-17-16-18-23-52)63-40-45-69-67-43-38-60(80(13,14)15)49-73(67)82(75(69)51-63)71-47-58(78(7,8)9)36-41-65(71)66-42-37-59(48-72(66)82)79(10,11)12/h16-51H,1-15H3.

What are the key properties of N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2,7,7'-tritert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine?

N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2,7,7'-tritert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 1080.56 g/mol, XLogP of 22.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2,7,7'-tritert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 177066973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).