2-buta-1,3-dien-2-yl-9,9'-spirobi[fluorene]

C29H20 — CID 153369638

IUPAC2-buta-1,3-dien-2-yl-9,9'-spirobi[fluorene]
SMILESC=CC(=C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C29H20/c1-3-19(2)20-16-17-24-23-12-6-9-15-27(23)29(28(24)18-20)25-13-7-4-10-21(25)22-11-5-8-14-26(22)29/h3-18H,1-2H2
InChIKeyGCZFDKIHAVKRIS-UHFFFAOYSA-N
MW368.48 g/mol
LogP7.23
Rot. Bonds2

About 2-buta-1,3-dien-2-yl-9,9'-spirobi[fluorene]

2-buta-1,3-dien-2-yl-9,9'-spirobi[fluorene] (PubChem CID 153369638) has the molecular formula C29H20 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-buta-1,3-dien-2-yl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2-buta-1,3-dien-2-yl-9,9'-spirobi[fluorene]
PubChem CID153369638
Molecular FormulaC29H20
Molecular Weight368.48 g/mol
Exact Mass368.16
IUPAC Name2-buta-1,3-dien-2-yl-9,9'-spirobi[fluorene]
SMILESC=CC(=C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C29H20/c1-3-19(2)20-16-17-24-23-12-6-9-15-27(23)29(28(24)18-20)25-13-7-4-10-21(25)22-11-5-8-14-26(22)29/h3-18H,1-2H2
InChIKeyGCZFDKIHAVKRIS-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(3-buta-1,3-dien-2-ylphenyl)-9,9'-spirobi[fluorene]
CID 153369042
1,4-bis(9,9'-spirobi[fluorene]-2-yl)but-2-ene-1,4-dione
CID 76648229
2-N',2-N',7-N',7-N'-tetraphenyl-2-[1-(9,9'-spirobi[fluorene]-2-yl)ethenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58240106
2-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]-9,9'-spirobi[fluorene]
CID 144925252
3-buta-1,3-dien-2-yl-9,9-dimethylfluorene;methoxymethane
CID 153369649
dimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate
CID 634796
spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
9H-fluoren-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone
CID 146631569
2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene]
CID 102477561
[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-(7'-ethenyl-9,9'-spirobi[fluorene]-2'-yl)methanone
CID 145092813
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
CID 147413538
CID 147413538

Frequently Asked Questions

What is the IUPAC name of 2-buta-1,3-dien-2-yl-9,9'-spirobi[fluorene]?
The IUPAC name of 2-buta-1,3-dien-2-yl-9,9'-spirobi[fluorene] (CID 153369638) is 2-buta-1,3-dien-2-yl-9,9'-spirobi[fluorene].
What is the SMILES notation for 2-buta-1,3-dien-2-yl-9,9'-spirobi[fluorene]?
The canonical SMILES for 2-buta-1,3-dien-2-yl-9,9'-spirobi[fluorene] is C=CC(=C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of 2-buta-1,3-dien-2-yl-9,9'-spirobi[fluorene]?
The InChIKey is GCZFDKIHAVKRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20/c1-3-19(2)20-16-17-24-23-12-6-9-15-27(23)29(28(24)18-20)25-13-7-4-10-21(25)22-11-5-8-14-26(22)29/h3-18H,1-2H2.
What are the key properties of 2-buta-1,3-dien-2-yl-9,9'-spirobi[fluorene]?
2-buta-1,3-dien-2-yl-9,9'-spirobi[fluorene] has a molecular weight of 368.48 g/mol, XLogP of 7.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-buta-1,3-dien-2-yl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 153369638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).