N-(3,4-diphenylphenyl)-3'-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

C73H47N — CID 138729788

About N-(3,4-diphenylphenyl)-3'-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

N-(3,4-diphenylphenyl)-3'-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 138729788) has the molecular formula C73H47N and a molecular weight of 938.19 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-3'-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-(3,4-diphenylphenyl)-3'-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• PubChem CID: 138729788
• Molecular Formula: C73H47N
• Molecular Weight: 938.19 g/mol
• Exact Mass: 937.37
• IUPAC Name: N-(3,4-diphenylphenyl)-3'-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• SMILES: c1ccc(-c2ccc(-c3cc4c(cc3N(c3ccc(-c5ccccc5)c(-c5ccccc5)c3)c3ccc5c6ccccc6c6ccccc6c5c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
• InChI: InChI=1S/C73H47N/c1-4-20-48(21-5-1)49-36-38-52(39-37-49)65-46-67-63-32-16-19-35-70(63)73(68-33-17-14-30-61(68)62-31-15-18-34-69(62)73)71(67)47-72(65)74(53-40-42-55(50-22-6-2-7-23-50)64(44-53)51-24-8-3-9-25-51)54-41-43-60-58-28-11-10-26-56(58)57-27-12-13-29-59(57)66(60)45-54/h1-47H
• InChIKey: LWBFEYBHITZNLU-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 N-(3,4-diphenylphenyl)-3'-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The IUPAC name of N-(3,4-diphenylphenyl)-3'-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (CID 138729788) is N-(3,4-diphenylphenyl)-3'-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

What is the SMILES notation for N-(3,4-diphenylphenyl)-3'-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The canonical SMILES for N-(3,4-diphenylphenyl)-3'-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is c1ccc(-c2ccc(-c3cc4c(cc3N(c3ccc(-c5ccccc5)c(-c5ccccc5)c3)c3ccc5c6ccccc6c6ccccc6c5c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.

What is the InChIKey of N-(3,4-diphenylphenyl)-3'-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

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

What are the key properties of N-(3,4-diphenylphenyl)-3'-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

N-(3,4-diphenylphenyl)-3'-(4-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 N-(3,4-diphenylphenyl)-3'-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 138729788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).