spiro[4,4a-dihydrofluorene-9,9'-fluorene]

C25H18 — CID 154012789

IUPACspiro[4,4a-dihydrofluorene-9,9'-fluorene]
SMILESC1=CCC2C(=C1)C1(c3ccccc3-c3ccccc31)c1ccccc12
InChIInChI=1S/C25H18/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25/h1-11,13-16,20H,12H2
InChIKeyBQPKUDKUSSYXBL-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.98
Rot. Bonds

About spiro[4,4a-dihydrofluorene-9,9'-fluorene]

spiro[4,4a-dihydrofluorene-9,9'-fluorene] (PubChem CID 154012789) has the molecular formula C25H18 and a molecular weight of 318.42 g/mol. Its IUPAC name is spiro[4,4a-dihydrofluorene-9,9'-fluorene].

Molecular Properties

Compound Namespiro[4,4a-dihydrofluorene-9,9'-fluorene]
PubChem CID154012789
Molecular FormulaC25H18
Molecular Weight318.42 g/mol
Exact Mass318.14
IUPAC Namespiro[4,4a-dihydrofluorene-9,9'-fluorene]
SMILESC1=CCC2C(=C1)C1(c3ccccc3-c3ccccc31)c1ccccc12
InChIInChI=1S/C25H18/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25/h1-11,13-16,20H,12H2
InChIKeyBQPKUDKUSSYXBL-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of spiro[4,4a-dihydrofluorene-9,9'-fluorene]?
The IUPAC name of spiro[4,4a-dihydrofluorene-9,9'-fluorene] (CID 154012789) is spiro[4,4a-dihydrofluorene-9,9'-fluorene].
What is the SMILES notation for spiro[4,4a-dihydrofluorene-9,9'-fluorene]?
The canonical SMILES for spiro[4,4a-dihydrofluorene-9,9'-fluorene] is C1=CCC2C(=C1)C1(c3ccccc3-c3ccccc31)c1ccccc12.
What is the InChIKey of spiro[4,4a-dihydrofluorene-9,9'-fluorene]?
The InChIKey is BQPKUDKUSSYXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25/h1-11,13-16,20H,12H2.
What are the key properties of spiro[4,4a-dihydrofluorene-9,9'-fluorene]?
spiro[4,4a-dihydrofluorene-9,9'-fluorene] has a molecular weight of 318.42 g/mol, XLogP of 5.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4,4a-dihydrofluorene-9,9'-fluorene] is sourced from PubChem (CID 154012789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).