(Z)-2-[2-[(2Z)-penta-2,4-dienyl]-5-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-2-phenylethenamine

C50H37N — CID 145340860

About (Z)-2-[2-[(2Z)-penta-2,4-dienyl]-5-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-2-phenylethenamine

(Z)-2-[2-[(2Z)-penta-2,4-dienyl]-5-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-2-phenylethenamine (PubChem CID 145340860) has the molecular formula C50H37N and a molecular weight of 651.85 g/mol. Its IUPAC name is (Z)-2-[2-[(2Z)-penta-2,4-dienyl]-5-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-2-phenylethenamine.

Molecular Properties

• Compound Name: (Z)-2-[2-[(2Z)-penta-2,4-dienyl]-5-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-2-phenylethenamine
• PubChem CID: 145340860
• Molecular Formula: C50H37N
• Molecular Weight: 651.85 g/mol
• Exact Mass: 651.29
• IUPAC Name: (Z)-2-[2-[(2Z)-penta-2,4-dienyl]-5-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-2-phenylethenamine
• SMILES: C=C/C=C\Cc1ccc(-c2ccccc2-c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1/C(=C\N)c1ccccc1
• InChI: InChI=1S/C50H37N/c1-2-3-5-17-35-30-31-36(32-43(35)44(33-51)34-18-6-4-7-19-34)37-20-8-9-21-38(37)41-25-16-29-48-49(41)42-24-12-15-28-47(42)50(48)45-26-13-10-22-39(45)40-23-11-14-27-46(40)50/h2-16,18-33H,1,17,51H2/b5-3-,44-33-
• InChIKey: KCOSTIDWKLHKFM-OPVJADKNSA-N
• XLogP: 12.00
• TPSA: 26.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.85
LogP ≤ 5	12.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[2-[(2Z)-penta-2,4-dienyl]-5-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-2-phenylethenamine?

The IUPAC name of (Z)-2-[2-[(2Z)-penta-2,4-dienyl]-5-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-2-phenylethenamine (CID 145340860) is (Z)-2-[2-[(2Z)-penta-2,4-dienyl]-5-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-2-phenylethenamine.

What is the SMILES notation for (Z)-2-[2-[(2Z)-penta-2,4-dienyl]-5-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-2-phenylethenamine?

The canonical SMILES for (Z)-2-[2-[(2Z)-penta-2,4-dienyl]-5-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-2-phenylethenamine is C=C/C=C\Cc1ccc(-c2ccccc2-c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1/C(=C\N)c1ccccc1.

What is the InChIKey of (Z)-2-[2-[(2Z)-penta-2,4-dienyl]-5-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-2-phenylethenamine?

The InChIKey is KCOSTIDWKLHKFM-OPVJADKNSA-N. The full InChI is InChI=1S/C50H37N/c1-2-3-5-17-35-30-31-36(32-43(35)44(33-51)34-18-6-4-7-19-34)37-20-8-9-21-38(37)41-25-16-29-48-49(41)42-24-12-15-28-47(42)50(48)45-26-13-10-22-39(45)40-23-11-14-27-46(40)50/h2-16,18-33H,1,17,51H2/b5-3-,44-33-.

What are the key properties of (Z)-2-[2-[(2Z)-penta-2,4-dienyl]-5-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-2-phenylethenamine?

(Z)-2-[2-[(2Z)-penta-2,4-dienyl]-5-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-2-phenylethenamine has a molecular weight of 651.85 g/mol, XLogP of 12.00, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-[2-[(2Z)-penta-2,4-dienyl]-5-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-2-phenylethenamine is sourced from PubChem (CID 145340860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).