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

C74H65N — CID 177067157

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

N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2-tert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 177067157) has the molecular formula C74H65N and a molecular weight of 968.34 g/mol. Its IUPAC name is N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2-tert-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-tert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
• PubChem CID: 177067157
• Molecular Formula: C74H65N
• Molecular Weight: 968.34 g/mol
• Exact Mass: 967.51
• IUPAC Name: N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2-tert-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(c6ccccc6-5)c5ccccc5-c5ccc(C(C)(C)C)cc54)cc32)cc1
• InChI: InChI=1S/C74H65N/c1-70(2,3)50-30-34-52(35-31-50)73(53-36-32-51(33-37-53)71(4,5)6)64-27-16-13-24-58(64)62-42-39-56(46-68(62)73)75(55-23-19-22-49(44-55)48-20-11-10-12-21-48)57-40-43-63-60-26-15-18-29-66(60)74(69(63)47-57)65-28-17-14-25-59(65)61-41-38-54(45-67(61)74)72(7,8)9/h10-47H,1-9H3
• InChIKey: BXROOAGKDUXPNI-UHFFFAOYSA-N
• XLogP: 19.42
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	968.34
LogP ≤ 5	19.42
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-tert-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-tert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine (CID 177067157) is N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2-tert-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-tert-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-tert-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(c6ccccc6-5)c5ccccc5-c5ccc(C(C)(C)C)cc54)cc32)cc1.

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

The InChIKey is BXROOAGKDUXPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H65N/c1-70(2,3)50-30-34-52(35-31-50)73(53-36-32-51(33-37-53)71(4,5)6)64-27-16-13-24-58(64)62-42-39-56(46-68(62)73)75(55-23-19-22-49(44-55)48-20-11-10-12-21-48)57-40-43-63-60-26-15-18-29-66(60)74(69(63)47-57)65-28-17-14-25-59(65)61-41-38-54(45-67(61)74)72(7,8)9/h10-47H,1-9H3.

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

N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2-tert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 968.34 g/mol, XLogP of 19.42, 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-tert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 177067157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).