[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-(7'-ethenyl-9,9'-spirobi[fluorene]-2'-yl)methanone

C53H34O — CID 145092813

About [2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-(7'-ethenyl-9,9'-spirobi[fluorene]-2'-yl)methanone

[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-(7'-ethenyl-9,9'-spirobi[fluorene]-2'-yl)methanone (PubChem CID 145092813) has the molecular formula C53H34O and a molecular weight of 686.85 g/mol. Its IUPAC name is [2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-(7'-ethenyl-9,9'-spirobi[fluorene]-2'-yl)methanone.

Molecular Properties

• Compound Name: [2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-(7'-ethenyl-9,9'-spirobi[fluorene]-2'-yl)methanone
• PubChem CID: 145092813
• Molecular Formula: C53H34O
• Molecular Weight: 686.85 g/mol
• Exact Mass: 686.26
• IUPAC Name: [2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-(7'-ethenyl-9,9'-spirobi[fluorene]-2'-yl)methanone
• SMILES: C=CC1=C(C=C)C2(c3ccccc31)c1ccccc1-c1ccc(C(=O)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(C=C)ccc3-4)cc12
• InChI: InChI=1S/C53H34O/c1-4-32-23-26-40-42-28-25-34(31-50(42)53(48(40)29-32)46-21-13-8-16-37(46)38-17-9-14-22-47(38)53)51(54)33-24-27-41-39-18-10-12-20-45(39)52(49(41)30-33)43(6-3)35(5-2)36-15-7-11-19-44(36)52/h4-31H,1-3H2
• InChIKey: ZWMFGAFZDCRCQM-UHFFFAOYSA-N
• XLogP: 12.36
• TPSA: 17.07 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.85
LogP ≤ 5	12.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of [2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-(7'-ethenyl-9,9'-spirobi[fluorene]-2'-yl)methanone?

The IUPAC name of [2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-(7'-ethenyl-9,9'-spirobi[fluorene]-2'-yl)methanone (CID 145092813) is [2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-(7'-ethenyl-9,9'-spirobi[fluorene]-2'-yl)methanone.

What is the SMILES notation for [2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-(7'-ethenyl-9,9'-spirobi[fluorene]-2'-yl)methanone?

The canonical SMILES for [2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-(7'-ethenyl-9,9'-spirobi[fluorene]-2'-yl)methanone is C=CC1=C(C=C)C2(c3ccccc31)c1ccccc1-c1ccc(C(=O)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(C=C)ccc3-4)cc12.

What is the InChIKey of [2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-(7'-ethenyl-9,9'-spirobi[fluorene]-2'-yl)methanone?

The InChIKey is ZWMFGAFZDCRCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34O/c1-4-32-23-26-40-42-28-25-34(31-50(42)53(48(40)29-32)46-21-13-8-16-37(46)38-17-9-14-22-47(38)53)51(54)33-24-27-41-39-18-10-12-20-45(39)52(49(41)30-33)43(6-3)35(5-2)36-15-7-11-19-44(36)52/h4-31H,1-3H2.

What are the key properties of [2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-(7'-ethenyl-9,9'-spirobi[fluorene]-2'-yl)methanone?

[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-(7'-ethenyl-9,9'-spirobi[fluorene]-2'-yl)methanone has a molecular weight of 686.85 g/mol, XLogP of 12.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-(7'-ethenyl-9,9'-spirobi[fluorene]-2'-yl)methanone is sourced from PubChem (CID 145092813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).