[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-1-yl]boronic acid

C26H21BO2 — CID 142314021

IUPAC[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-1-yl]boronic acid
SMILESC=CC1=C(/C=C\C)c2ccccc2C12c1ccccc1-c1cccc(B(O)O)c12
InChIInChI=1S/C26H21BO2/c1-3-10-17-18-11-5-7-14-22(18)26(21(17)4-2)23-15-8-6-12-19(23)20-13-9-16-24(25(20)26)27(28)29/h3-16,28-29H,2H2,1H3/b10-3-
InChIKeyIULIUDKXWUZKOV-KMKOMSMNSA-N
MW376.26 g/mol
LogP4.21
Rot. Bonds3

About [2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-1-yl]boronic acid

[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-1-yl]boronic acid (PubChem CID 142314021) has the molecular formula C26H21BO2 and a molecular weight of 376.26 g/mol. Its IUPAC name is [2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-1-yl]boronic acid.

Molecular Properties

Compound Name[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-1-yl]boronic acid
PubChem CID142314021
Molecular FormulaC26H21BO2
Molecular Weight376.26 g/mol
Exact Mass376.16
IUPAC Name[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-1-yl]boronic acid
SMILESC=CC1=C(/C=C\C)c2ccccc2C12c1ccccc1-c1cccc(B(O)O)c12
InChIInChI=1S/C26H21BO2/c1-3-10-17-18-11-5-7-14-22(18)26(21(17)4-2)23-15-8-6-12-19(23)20-13-9-16-24(25(20)26)27(28)29/h3-16,28-29H,2H2,1H3/b10-3-
InChIKeyIULIUDKXWUZKOV-KMKOMSMNSA-N
XLogP4.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1Z)-buta-1,3-dienyl]-2'-ethenyl-3-methyl-3'-[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 142597844
3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145204058
2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene
CID 177033619
3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
CID 144911605
2',3,3'-tris(ethenyl)-5-methyl-2-[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145301502
ethane;2-ethenyl-1-ethyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene
CID 176927954
9,9'-spirobi[fluorene]-4'-ylboronic acid
CID 71249292
1'-[(E)-prop-1-enyl]-9,9'-spirobi[fluorene]
CID 145110832
2,3-bis(ethenyl)-2'-methyl-3'-prop-1-enylspiro[chromene-4,1'-indene]
CID 123379297
2',3'-bis(ethenyl)-6'-phenylspiro[fluorene-9,1'-indene]
CID 142340746
2-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]spiro[indene-1,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 135245202
2',3'-bis(ethenyl)-2-methylspiro[fluorene-9,1'-indene];ethane;methane
CID 163299187

Frequently Asked Questions

What is the IUPAC name of [2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-1-yl]boronic acid?
The IUPAC name of [2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-1-yl]boronic acid (CID 142314021) is [2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-1-yl]boronic acid.
What is the SMILES notation for [2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-1-yl]boronic acid?
The canonical SMILES for [2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-1-yl]boronic acid is C=CC1=C(/C=C\C)c2ccccc2C12c1ccccc1-c1cccc(B(O)O)c12.
What is the InChIKey of [2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-1-yl]boronic acid?
The InChIKey is IULIUDKXWUZKOV-KMKOMSMNSA-N. The full InChI is InChI=1S/C26H21BO2/c1-3-10-17-18-11-5-7-14-22(18)26(21(17)4-2)23-15-8-6-12-19(23)20-13-9-16-24(25(20)26)27(28)29/h3-16,28-29H,2H2,1H3/b10-3-.
What are the key properties of [2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-1-yl]boronic acid?
[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-1-yl]boronic acid has a molecular weight of 376.26 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-1-yl]boronic acid is sourced from PubChem (CID 142314021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).