N,N-diphenyl-4-[(E)-2-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylphenyl)ethenyl]aniline

C55H37N — CID 102596367

About N,N-diphenyl-4-[(E)-2-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylphenyl)ethenyl]aniline

N,N-diphenyl-4-[(E)-2-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylphenyl)ethenyl]aniline (PubChem CID 102596367) has the molecular formula C55H37N and a molecular weight of 711.91 g/mol. Its IUPAC name is N,N-diphenyl-4-[(E)-2-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylphenyl)ethenyl]aniline.

Molecular Properties

• Compound Name: N,N-diphenyl-4-[(E)-2-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylphenyl)ethenyl]aniline
• PubChem CID: 102596367
• Molecular Formula: C55H37N
• Molecular Weight: 711.91 g/mol
• Exact Mass: 711.29
• IUPAC Name: N,N-diphenyl-4-[(E)-2-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylphenyl)ethenyl]aniline
• SMILES: C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c2ccc2ccccc32)cc1
• InChI: InChI=1S/C55H37N/c1-3-14-43(15-4-1)56(44-16-5-2-6-17-44)45-33-27-39(28-34-45)24-23-38-25-29-40(30-26-38)42-31-35-48-47-19-9-11-21-50(47)55(53(48)37-42)51-22-12-10-20-49(51)54-46-18-8-7-13-41(46)32-36-52(54)55/h1-37H/b24-23+
• InChIKey: XWPSVADKJVCELM-WCWDXBQESA-N
• XLogP: 14.49
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.91
LogP ≤ 5	14.49
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 N,N-diphenyl-4-[(E)-2-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylphenyl)ethenyl]aniline?

The IUPAC name of N,N-diphenyl-4-[(E)-2-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylphenyl)ethenyl]aniline (CID 102596367) is N,N-diphenyl-4-[(E)-2-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylphenyl)ethenyl]aniline.

What is the SMILES notation for N,N-diphenyl-4-[(E)-2-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylphenyl)ethenyl]aniline?

The canonical SMILES for N,N-diphenyl-4-[(E)-2-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylphenyl)ethenyl]aniline is C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c2ccc2ccccc32)cc1.

What is the InChIKey of N,N-diphenyl-4-[(E)-2-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylphenyl)ethenyl]aniline?

The InChIKey is XWPSVADKJVCELM-WCWDXBQESA-N. The full InChI is InChI=1S/C55H37N/c1-3-14-43(15-4-1)56(44-16-5-2-6-17-44)45-33-27-39(28-34-45)24-23-38-25-29-40(30-26-38)42-31-35-48-47-19-9-11-21-50(47)55(53(48)37-42)51-22-12-10-20-49(51)54-46-18-8-7-13-41(46)32-36-52(54)55/h1-37H/b24-23+.

What are the key properties of N,N-diphenyl-4-[(E)-2-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylphenyl)ethenyl]aniline?

N,N-diphenyl-4-[(E)-2-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylphenyl)ethenyl]aniline has a molecular weight of 711.91 g/mol, XLogP of 14.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-4-[(E)-2-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylphenyl)ethenyl]aniline is sourced from PubChem (CID 102596367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).