(9,9-dicyclopentylfluoren-2-yl)boronic acid

C23H27BO2 — CID 86036873

IUPAC(9,9-dicyclopentylfluoren-2-yl)boronic acid
SMILESOB(O)c1ccc2c(c1)C(C1CCCC1)(C1CCCC1)c1ccccc1-2
InChIInChI=1S/C23H27BO2/c25-24(26)18-13-14-20-19-11-5-6-12-21(19)23(22(20)15-18,16-7-1-2-8-16)17-9-3-4-10-17/h5-6,11-17,25-26H,1-4,7-10H2
InChIKeyGCARJDLVWXYIRC-UHFFFAOYSA-N
MW346.28 g/mol
LogP4.01
Rot. Bonds3

About (9,9-dicyclopentylfluoren-2-yl)boronic acid

(9,9-dicyclopentylfluoren-2-yl)boronic acid (PubChem CID 86036873) has the molecular formula C23H27BO2 and a molecular weight of 346.28 g/mol. Its IUPAC name is (9,9-dicyclopentylfluoren-2-yl)boronic acid.

Molecular Properties

Compound Name(9,9-dicyclopentylfluoren-2-yl)boronic acid
PubChem CID86036873
Molecular FormulaC23H27BO2
Molecular Weight346.28 g/mol
Exact Mass346.21
IUPAC Name(9,9-dicyclopentylfluoren-2-yl)boronic acid
SMILESOB(O)c1ccc2c(c1)C(C1CCCC1)(C1CCCC1)c1ccccc1-2
InChIInChI=1S/C23H27BO2/c25-24(26)18-13-14-20-19-11-5-6-12-21(19)23(22(20)15-18,16-7-1-2-8-16)17-9-3-4-10-17/h5-6,11-17,25-26H,1-4,7-10H2
InChIKeyGCARJDLVWXYIRC-UHFFFAOYSA-N
XLogP4.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 54.01
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

spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]
CID 123717351
(2'-borono-9,9'-spirobi[fluorene]-2-yl)boronic acid
CID 121230960
(7-borono-9,9-dimethylfluoren-2-yl)boronic acid
CID 24820467
[(1S)-spiro[cyclohexane-2,9'-fluorene]-1-yl]boronic acid
CID 125469948
9-cyclopentyl-9-phenylfluorene
CID 59853281
2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxycyclohexyl)fluoren-9-yl]cyclohexan-1-ol
CID 139824935
[4-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid
CID 59691054
(7-borono-9H-fluoren-2-yl)boronic acid
CID 57180982
bis(9,9-diethylfluoren-2-yl)borinic acid
CID 140671655
2-bromospiro[cyclohexane-1,9'-fluorene]
CID 69346071
spiro[benzo[a]phenalene-7,9'-fluorene]-10-ylboronic acid
CID 140780247
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

Frequently Asked Questions

What is the IUPAC name of (9,9-dicyclopentylfluoren-2-yl)boronic acid?
The IUPAC name of (9,9-dicyclopentylfluoren-2-yl)boronic acid (CID 86036873) is (9,9-dicyclopentylfluoren-2-yl)boronic acid.
What is the SMILES notation for (9,9-dicyclopentylfluoren-2-yl)boronic acid?
The canonical SMILES for (9,9-dicyclopentylfluoren-2-yl)boronic acid is OB(O)c1ccc2c(c1)C(C1CCCC1)(C1CCCC1)c1ccccc1-2.
What is the InChIKey of (9,9-dicyclopentylfluoren-2-yl)boronic acid?
The InChIKey is GCARJDLVWXYIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BO2/c25-24(26)18-13-14-20-19-11-5-6-12-21(19)23(22(20)15-18,16-7-1-2-8-16)17-9-3-4-10-17/h5-6,11-17,25-26H,1-4,7-10H2.
What are the key properties of (9,9-dicyclopentylfluoren-2-yl)boronic acid?
(9,9-dicyclopentylfluoren-2-yl)boronic acid has a molecular weight of 346.28 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9,9-dicyclopentylfluoren-2-yl)boronic acid is sourced from PubChem (CID 86036873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).