7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine

C65H41NO — CID 155423638

About 7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine

7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 155423638) has the molecular formula C65H41NO and a molecular weight of 852.05 g/mol. Its IUPAC name is 7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

• Compound Name: 7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine
• PubChem CID: 155423638
• Molecular Formula: C65H41NO
• Molecular Weight: 852.05 g/mol
• Exact Mass: 851.32
• IUPAC Name: 7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine
• SMILES: c1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4c(oc5cccc(-c6ccccc6-c6ccccc6)c54)c4ccccc34)c2)cc1
• InChI: InChI=1S/C65H41NO/c1-3-19-42(20-4-1)44-23-17-24-45(39-44)66(46-37-38-52-51-29-13-16-35-59(51)65(60(52)40-46)57-33-14-11-27-49(57)50-28-12-15-34-58(50)65)61-41-56-63-54(48-26-8-7-25-47(48)43-21-5-2-6-22-43)32-18-36-62(63)67-64(56)55-31-10-9-30-53(55)61/h1-41H
• InChIKey: VDOTTWFKJVCYOV-UHFFFAOYSA-N
• XLogP: 17.55
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.05
LogP ≤ 5	17.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine?

The IUPAC name of 7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine (CID 155423638) is 7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine.

What is the SMILES notation for 7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine?

The canonical SMILES for 7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4c(oc5cccc(-c6ccccc6-c6ccccc6)c54)c4ccccc34)c2)cc1.

What is the InChIKey of 7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine?

The InChIKey is VDOTTWFKJVCYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41NO/c1-3-19-42(20-4-1)44-23-17-24-45(39-44)66(46-37-38-52-51-29-13-16-35-59(51)65(60(52)40-46)57-33-14-11-27-49(57)50-28-12-15-34-58(50)65)61-41-56-63-54(48-26-8-7-25-47(48)43-21-5-2-6-22-43)32-18-36-62(63)67-64(56)55-31-10-9-30-53(55)61/h1-41H.

What are the key properties of 7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine?

7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine has a molecular weight of 852.05 g/mol, XLogP of 17.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 155423638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).