boric acid;spiro[fluorene-9,9'-xanthene]

C25H19BO4 — CID 175979012

IUPACboric acid;spiro[fluorene-9,9'-xanthene]
SMILESOB(O)O.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H16O.BH3O3/c1-3-11-19-17(9-1)18-10-2-4-12-20(18)25(19)21-13-5-7-15-23(21)26-24-16-8-6-14-22(24)25;2-1(3)4/h1-16H;2-4H
InChIKeyKHYJEOUUIJCTKC-UHFFFAOYSA-N
MW394.24 g/mol
LogP4.10
Rot. Bonds

About boric acid;spiro[fluorene-9,9'-xanthene]

boric acid;spiro[fluorene-9,9'-xanthene] (PubChem CID 175979012) has the molecular formula C25H19BO4 and a molecular weight of 394.24 g/mol. Its IUPAC name is boric acid;spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Nameboric acid;spiro[fluorene-9,9'-xanthene]
PubChem CID175979012
Molecular FormulaC25H19BO4
Molecular Weight394.24 g/mol
Exact Mass394.14
IUPAC Nameboric acid;spiro[fluorene-9,9'-xanthene]
SMILESOB(O)O.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H16O.BH3O3/c1-3-11-19-17(9-1)18-10-2-4-12-20(18)25(19)21-13-5-7-15-23(21)26-24-16-8-6-14-22(24)25;2-1(3)4/h1-16H;2-4H
InChIKeyKHYJEOUUIJCTKC-UHFFFAOYSA-N
XLogP4.10
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.24
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

spiro[fluorene-9,9'-thioxanthene];spiro[fluorene-9,9'-xanthene]
CID 159396129
methoxy(spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-yl)borinic acid
CID 145092854
2-benzylspiro[fluorene-9,9'-xanthene]
CID 155763710
2'-benzylspiro[fluorene-9,9'-xanthene]
CID 155763670
2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
2'-chloro-3'-phenylspiro[fluorene-9,9'-xanthene]
CID 166844508
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
4-[7'-(4-hydroxyphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenol
CID 23369045
2,3-dimethyl-3-[methyl(spiro[fluorene-9,9'-xanthene]-2'-yl)boranyl]oxybutan-2-ol
CID 145358304
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476546
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877

Frequently Asked Questions

What is the IUPAC name of boric acid;spiro[fluorene-9,9'-xanthene]?
The IUPAC name of boric acid;spiro[fluorene-9,9'-xanthene] (CID 175979012) is boric acid;spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for boric acid;spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for boric acid;spiro[fluorene-9,9'-xanthene] is OB(O)O.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of boric acid;spiro[fluorene-9,9'-xanthene]?
The InChIKey is KHYJEOUUIJCTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16O.BH3O3/c1-3-11-19-17(9-1)18-10-2-4-12-20(18)25(19)21-13-5-7-15-23(21)26-24-16-8-6-14-22(24)25;2-1(3)4/h1-16H;2-4H.
What are the key properties of boric acid;spiro[fluorene-9,9'-xanthene]?
boric acid;spiro[fluorene-9,9'-xanthene] has a molecular weight of 394.24 g/mol, XLogP of 4.10, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 175979012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).