2',7'-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C75H71N — CID 170304818

About 2',7'-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

2',7'-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 170304818) has the molecular formula C75H71N and a molecular weight of 986.40 g/mol. Its IUPAC name is 2',7'-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

• Compound Name: 2',7'-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
• PubChem CID: 170304818
• Molecular Formula: C75H71N
• Molecular Weight: 986.40 g/mol
• Exact Mass: 985.56
• IUPAC Name: 2',7'-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
• SMILES: CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)C4(c6ccccc6-5)c5cc(C(C)(C)C)ccc5-c5ccc(C(C)(C)C)cc54)c4ccccc4-c4ccccc4)c23)cc(C(C)(C)C)c1
• InChI: InChI=1S/C75H71N/c1-71(2,3)51-36-39-59-60-40-37-52(72(4,5)6)46-66(60)75(65(59)45-51)64-33-19-16-29-58(64)61-41-38-55(47-67(61)75)76(68-34-20-17-28-56(68)48-24-14-13-15-25-48)69-35-21-18-30-62(69)63-32-23-27-49-26-22-31-57(70(49)63)50-42-53(73(7,8)9)44-54(43-50)74(10,11)12/h13-47H,1-12H3
• InChIKey: KYEXDDGUPURONK-UHFFFAOYSA-N
• XLogP: 20.84
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	986.40
LogP ≤ 5	20.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?

The IUPAC name of 2',7'-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 170304818) is 2',7'-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

What is the SMILES notation for 2',7'-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?

The canonical SMILES for 2',7'-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)C4(c6ccccc6-5)c5cc(C(C)(C)C)ccc5-c5ccc(C(C)(C)C)cc54)c4ccccc4-c4ccccc4)c23)cc(C(C)(C)C)c1.

What is the InChIKey of 2',7'-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?

The InChIKey is KYEXDDGUPURONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H71N/c1-71(2,3)51-36-39-59-60-40-37-52(72(4,5)6)46-66(60)75(65(59)45-51)64-33-19-16-29-58(64)61-41-38-55(47-67(61)75)76(68-34-20-17-28-56(68)48-24-14-13-15-25-48)69-35-21-18-30-62(69)63-32-23-27-49-26-22-31-57(70(49)63)50-42-53(73(7,8)9)44-54(43-50)74(10,11)12/h13-47H,1-12H3.

What are the key properties of 2',7'-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?

2',7'-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 986.40 g/mol, XLogP of 20.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2',7'-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 170304818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).