bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene

C21H18 — CID 161235205

IUPACbicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene
SMILESc1ccc2c(c1)CC2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C8H8/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-8-6-5-7(8)3-1/h1-8H,9H2;1-4H,5-6H2
InChIKeyUZGUMDUZRHQUHU-UHFFFAOYSA-N
MW270.38 g/mol
LogP5.04
Rot. Bonds

About bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene

bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene (PubChem CID 161235205) has the molecular formula C21H18 and a molecular weight of 270.38 g/mol. Its IUPAC name is bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene.

Molecular Properties

Compound Namebicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene
PubChem CID161235205
Molecular FormulaC21H18
Molecular Weight270.38 g/mol
Exact Mass270.14
IUPAC Namebicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene
SMILESc1ccc2c(c1)CC2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C8H8/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-8-6-5-7(8)3-1/h1-8H,9H2;1-4H,5-6H2
InChIKeyUZGUMDUZRHQUHU-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.38
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene?
The IUPAC name of bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene (CID 161235205) is bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene.
What is the SMILES notation for bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene?
The canonical SMILES for bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene is c1ccc2c(c1)CC2.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene?
The InChIKey is UZGUMDUZRHQUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C8H8/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-8-6-5-7(8)3-1/h1-8H,9H2;1-4H,5-6H2.
What are the key properties of bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene?
bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene has a molecular weight of 270.38 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene is sourced from PubChem (CID 161235205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).