4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline

C57H39N — CID 130260406

About 4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline

4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline (PubChem CID 130260406) has the molecular formula C57H39N and a molecular weight of 737.95 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline.

Molecular Properties

• Compound Name: 4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline
• PubChem CID: 130260406
• Molecular Formula: C57H39N
• Molecular Weight: 737.95 g/mol
• Exact Mass: 737.31
• IUPAC Name: 4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline
• SMILES: C1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc12
• InChI: InChI=1S/C57H39N/c1-3-13-40(14-4-1)42-25-32-48(33-26-42)58(49-34-27-43(28-35-49)41-15-5-2-6-16-41)50-36-29-44(30-37-50)47-31-38-52-51-19-9-12-22-55(51)57(56(52)39-47)53-20-10-7-17-45(53)23-24-46-18-8-11-21-54(46)57/h1-39H
• InChIKey: HKWTTWYQBVWYFX-UHFFFAOYSA-N
• XLogP: 15.00
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.95
LogP ≤ 5	15.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline?

The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline (CID 130260406) is 4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline.

What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline?

The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline is C1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc12.

What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline?

The InChIKey is HKWTTWYQBVWYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N/c1-3-13-40(14-4-1)42-25-32-48(33-26-42)58(49-34-27-43(28-35-49)41-15-5-2-6-16-41)50-36-29-44(30-37-50)47-31-38-52-51-19-9-12-22-55(51)57(56(52)39-47)53-20-10-7-17-45(53)23-24-46-18-8-11-21-54(46)57/h1-39H.

What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline?

4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline has a molecular weight of 737.95 g/mol, XLogP of 15.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline is sourced from PubChem (CID 130260406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).