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

C67H42N2 — CID 138729524

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

3'-carbazol-9-yl-N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 138729524) has the molecular formula C67H42N2 and a molecular weight of 875.09 g/mol. Its IUPAC name is 3'-carbazol-9-yl-N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

• Compound Name: 3'-carbazol-9-yl-N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• PubChem CID: 138729524
• Molecular Formula: C67H42N2
• Molecular Weight: 875.09 g/mol
• Exact Mass: 874.33
• IUPAC Name: 3'-carbazol-9-yl-N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• SMILES: c1ccc(-c2cccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-n3c5ccccc5c5ccccc53)-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1
• InChI: InChI=1S/C67H42N2/c1-2-19-43(20-3-1)44-21-18-22-45(39-44)68(46-37-38-51-49-25-5-4-23-47(49)48-24-6-7-26-50(48)57(51)40-46)66-42-62-58(41-65(66)69-63-35-16-11-30-55(63)56-31-12-17-36-64(56)69)54-29-10-15-34-61(54)67(62)59-32-13-8-27-52(59)53-28-9-14-33-60(53)67/h1-42H
• InChIKey: KPOSJZJTENZTKH-UHFFFAOYSA-N
• XLogP: 17.72
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	875.09
LogP ≤ 5	17.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3'-carbazol-9-yl-N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The IUPAC name of 3'-carbazol-9-yl-N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (CID 138729524) is 3'-carbazol-9-yl-N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

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

The canonical SMILES for 3'-carbazol-9-yl-N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is c1ccc(-c2cccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-n3c5ccccc5c5ccccc53)-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.

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

The InChIKey is KPOSJZJTENZTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N2/c1-2-19-43(20-3-1)44-21-18-22-45(39-44)68(46-37-38-51-49-25-5-4-23-47(49)48-24-6-7-26-50(48)57(51)40-46)66-42-62-58(41-65(66)69-63-35-16-11-30-55(63)56-31-12-17-36-64(56)69)54-29-10-15-34-61(54)67(62)59-32-13-8-27-52(59)53-28-9-14-33-60(53)67/h1-42H.

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

3'-carbazol-9-yl-N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 875.09 g/mol, XLogP of 17.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-carbazol-9-yl-N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 138729524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).