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

C73H47N — CID 138729929

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

3'-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 138729929) has the molecular formula C73H47N and a molecular weight of 938.19 g/mol. Its IUPAC name is 3'-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

• Compound Name: 3'-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• PubChem CID: 138729929
• Molecular Formula: C73H47N
• Molecular Weight: 938.19 g/mol
• Exact Mass: 937.37
• IUPAC Name: 3'-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cc5c(cc4-c4ccc(-c6ccccc6)cc4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc2)cc1
• InChI: InChI=1S/C73H47N/c1-3-17-48(18-4-1)50-31-33-52(34-32-50)53-39-41-55(42-40-53)74(56-43-44-61-59-23-8-7-21-57(59)58-22-9-10-24-60(58)66(61)45-56)72-47-71-67(46-65(72)54-37-35-51(36-38-54)49-19-5-2-6-20-49)64-27-13-16-30-70(64)73(71)68-28-14-11-25-62(68)63-26-12-15-29-69(63)73/h1-47H
• InChIKey: FGJGDHUSDGZKTP-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 3'-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The IUPAC name of 3'-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (CID 138729929) is 3'-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

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

The canonical SMILES for 3'-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cc5c(cc4-c4ccc(-c6ccccc6)cc4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc2)cc1.

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

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

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

3'-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-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 3'-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 138729929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).