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

C67H43N — CID 130308912

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

N-[4-(4-phenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine (PubChem CID 130308912) has the molecular formula C67H43N and a molecular weight of 862.09 g/mol. Its IUPAC name is N-[4-(4-phenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine.

Molecular Properties

• Compound Name: N-[4-(4-phenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine
• PubChem CID: 130308912
• Molecular Formula: C67H43N
• Molecular Weight: 862.09 g/mol
• Exact Mass: 861.34
• IUPAC Name: N-[4-(4-phenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc2)cc1
• InChI: InChI=1S/C67H43N/c1-2-14-44(15-3-1)45-26-28-46(29-27-45)47-30-35-50(36-31-47)68(52-39-41-57-55-18-5-4-16-53(55)54-17-6-7-19-56(54)62(57)43-52)51-37-32-48(33-38-51)49-34-40-61-60-22-10-13-25-65(60)67(66(61)42-49)63-23-11-8-20-58(63)59-21-9-12-24-64(59)67/h1-43H
• InChIKey: PFATVBKOBGUIQD-UHFFFAOYSA-N
• XLogP: 17.96
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	862.09
LogP ≤ 5	17.96
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-[4-(4-phenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine?

The IUPAC name of N-[4-(4-phenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine (CID 130308912) is N-[4-(4-phenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine.

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

The canonical SMILES for N-[4-(4-phenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc2)cc1.

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

The InChIKey is PFATVBKOBGUIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N/c1-2-14-44(15-3-1)45-26-28-46(29-27-45)47-30-35-50(36-31-47)68(52-39-41-57-55-18-5-4-16-53(55)54-17-6-7-19-56(54)62(57)43-52)51-37-32-48(33-38-51)49-34-40-61-60-22-10-13-25-65(60)67(66(61)42-49)63-23-11-8-20-58(63)59-21-9-12-24-64(59)67/h1-43H.

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

N-[4-(4-phenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine has a molecular weight of 862.09 g/mol, XLogP of 17.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-phenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine is sourced from PubChem (CID 130308912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).