(Z)-4-imino-1-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)but-2-en-1-amine

C41H30N2O — CID 155443498

About (Z)-4-imino-1-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)but-2-en-1-amine

(Z)-4-imino-1-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)but-2-en-1-amine (PubChem CID 155443498) has the molecular formula C41H30N2O and a molecular weight of 566.70 g/mol. Its IUPAC name is (Z)-4-imino-1-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)but-2-en-1-amine.

Molecular Properties

• Compound Name: (Z)-4-imino-1-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)but-2-en-1-amine
• PubChem CID: 155443498
• Molecular Formula: C41H30N2O
• Molecular Weight: 566.70 g/mol
• Exact Mass: 566.24
• IUPAC Name: (Z)-4-imino-1-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)but-2-en-1-amine
• SMILES: [H]/N=C(/C=C\C(N)c1ccccc1)c1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C41H30N2O/c42-37(28-10-2-1-3-11-28)23-24-38(43)29-20-18-27(19-21-29)30-22-25-40-36(26-30)41(35-16-8-9-17-39(35)44-40)33-14-6-4-12-31(33)32-13-5-7-15-34(32)41/h1-26,37,43H,42H2/b24-23-,43-38-
• InChIKey: XOOYPEQYMNWSEU-BJXYIBGKSA-N
• XLogP: 9.45
• TPSA: 59.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.70
LogP ≤ 5	9.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-1-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)but-2-en-1-amine?

The IUPAC name of (Z)-4-imino-1-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)but-2-en-1-amine (CID 155443498) is (Z)-4-imino-1-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)but-2-en-1-amine.

What is the SMILES notation for (Z)-4-imino-1-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)but-2-en-1-amine?

The canonical SMILES for (Z)-4-imino-1-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)but-2-en-1-amine is [H]/N=C(/C=C\C(N)c1ccccc1)c1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of (Z)-4-imino-1-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)but-2-en-1-amine?

The InChIKey is XOOYPEQYMNWSEU-BJXYIBGKSA-N. The full InChI is InChI=1S/C41H30N2O/c42-37(28-10-2-1-3-11-28)23-24-38(43)29-20-18-27(19-21-29)30-22-25-40-36(26-30)41(35-16-8-9-17-39(35)44-40)33-14-6-4-12-31(33)32-13-5-7-15-34(32)41/h1-26,37,43H,42H2/b24-23-,43-38-.

What are the key properties of (Z)-4-imino-1-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)but-2-en-1-amine?

(Z)-4-imino-1-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)but-2-en-1-amine has a molecular weight of 566.70 g/mol, XLogP of 9.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-4-imino-1-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)but-2-en-1-amine is sourced from PubChem (CID 155443498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).