spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]

C21H22 — CID 123717351

IUPACspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21C2CCCC1CCC2
InChIInChI=1S/C21H22/c1-3-13-19-17(11-1)18-12-2-4-14-20(18)21(19)15-7-5-8-16(21)10-6-9-15/h1-4,11-16H,5-10H2
InChIKeyBJNIDPWWEJPSPS-UHFFFAOYSA-N
MW274.41 g/mol
LogP5.55
Rot. Bonds

About spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]

spiro[bicyclo[3.3.1]nonane-9,9'-fluorene] (PubChem CID 123717351) has the molecular formula C21H22 and a molecular weight of 274.41 g/mol. Its IUPAC name is spiro[bicyclo[3.3.1]nonane-9,9'-fluorene].

Molecular Properties

Compound Namespiro[bicyclo[3.3.1]nonane-9,9'-fluorene]
PubChem CID123717351
Molecular FormulaC21H22
Molecular Weight274.41 g/mol
Exact Mass274.17
IUPAC Namespiro[bicyclo[3.3.1]nonane-9,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21C2CCCC1CCC2
InChIInChI=1S/C21H22/c1-3-13-19-17(11-1)18-12-2-4-14-20(18)21(19)15-7-5-8-16(21)10-6-9-15/h1-4,11-16H,5-10H2
InChIKeyBJNIDPWWEJPSPS-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.41
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]?
The IUPAC name of spiro[bicyclo[3.3.1]nonane-9,9'-fluorene] (CID 123717351) is spiro[bicyclo[3.3.1]nonane-9,9'-fluorene].
What is the SMILES notation for spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]?
The canonical SMILES for spiro[bicyclo[3.3.1]nonane-9,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21C2CCCC1CCC2.
What is the InChIKey of spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]?
The InChIKey is BJNIDPWWEJPSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22/c1-3-13-19-17(11-1)18-12-2-4-14-20(18)21(19)15-7-5-8-16(21)10-6-9-15/h1-4,11-16H,5-10H2.
What are the key properties of spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]?
spiro[bicyclo[3.3.1]nonane-9,9'-fluorene] has a molecular weight of 274.41 g/mol, XLogP of 5.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[bicyclo[3.3.1]nonane-9,9'-fluorene] is sourced from PubChem (CID 123717351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).