2,7,7'-triphenyl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

C73H47N — CID 130309139

About 2,7,7'-triphenyl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

2,7,7'-triphenyl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 130309139) has the molecular formula C73H47N and a molecular weight of 938.19 g/mol. Its IUPAC name is 2,7,7'-triphenyl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

• Compound Name: 2,7,7'-triphenyl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• PubChem CID: 130309139
• Molecular Formula: C73H47N
• Molecular Weight: 938.19 g/mol
• Exact Mass: 937.37
• IUPAC Name: 2,7,7'-triphenyl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• SMILES: c1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4-3)c3cc(-c4ccccc4)ccc3-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4ccccc4-c4ccccc4)cc32)cc1
• InChI: InChI=1S/C73H47N/c1-5-19-48(20-6-1)52-33-38-63-64-39-34-53(49-21-7-2-8-22-49)44-69(64)73(68(63)43-52)70-45-54(50-23-9-3-10-24-50)35-40-65(70)66-42-37-56(47-71(66)73)74(72-32-18-17-27-57(72)51-25-11-4-12-26-51)55-36-41-62-60-30-14-13-28-58(60)59-29-15-16-31-61(59)67(62)46-55/h1-47H
• InChIKey: YSCIZMKAXQWMGU-UHFFFAOYSA-N
• XLogP: 19.63
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	938.19
LogP ≤ 5	19.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,7,7'-triphenyl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The IUPAC name of 2,7,7'-triphenyl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (CID 130309139) is 2,7,7'-triphenyl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

What is the SMILES notation for 2,7,7'-triphenyl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The canonical SMILES for 2,7,7'-triphenyl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is c1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4-3)c3cc(-c4ccccc4)ccc3-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4ccccc4-c4ccccc4)cc32)cc1.

What is the InChIKey of 2,7,7'-triphenyl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The InChIKey is YSCIZMKAXQWMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H47N/c1-5-19-48(20-6-1)52-33-38-63-64-39-34-53(49-21-7-2-8-22-49)44-69(64)73(68(63)43-52)70-45-54(50-23-9-3-10-24-50)35-40-65(70)66-42-37-56(47-71(66)73)74(72-32-18-17-27-57(72)51-25-11-4-12-26-51)55-36-41-62-60-30-14-13-28-58(60)59-29-15-16-31-61(59)67(62)46-55/h1-47H.

What are the key properties of 2,7,7'-triphenyl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

2,7,7'-triphenyl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 938.19 g/mol, XLogP of 19.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7,7'-triphenyl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 130309139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).