3-benzyl-9H-fluorene

C20H16 — CID 57310019

IUPAC3-benzyl-9H-fluorene
SMILESc1ccc(Cc2ccc3c(c2)-c2ccccc2C3)cc1
InChIInChI=1S/C20H16/c1-2-6-15(7-3-1)12-16-10-11-18-14-17-8-4-5-9-19(17)20(18)13-16/h1-11,13H,12,14H2
InChIKeyOMSVRWMGDUDCGR-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.85
Rot. Bonds2

About 3-benzyl-9H-fluorene

3-benzyl-9H-fluorene (PubChem CID 57310019) has the molecular formula C20H16 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-benzyl-9H-fluorene.

Molecular Properties

Compound Name3-benzyl-9H-fluorene
PubChem CID57310019
Molecular FormulaC20H16
Molecular Weight256.35 g/mol
Exact Mass256.13
IUPAC Name3-benzyl-9H-fluorene
SMILESc1ccc(Cc2ccc3c(c2)-c2ccccc2C3)cc1
InChIInChI=1S/C20H16/c1-2-6-15(7-3-1)12-16-10-11-18-14-17-8-4-5-9-19(17)20(18)13-16/h1-11,13H,12,14H2
InChIKeyOMSVRWMGDUDCGR-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-9H-fluorene?
The IUPAC name of 3-benzyl-9H-fluorene (CID 57310019) is 3-benzyl-9H-fluorene.
What is the SMILES notation for 3-benzyl-9H-fluorene?
The canonical SMILES for 3-benzyl-9H-fluorene is c1ccc(Cc2ccc3c(c2)-c2ccccc2C3)cc1.
What is the InChIKey of 3-benzyl-9H-fluorene?
The InChIKey is OMSVRWMGDUDCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16/c1-2-6-15(7-3-1)12-16-10-11-18-14-17-8-4-5-9-19(17)20(18)13-16/h1-11,13H,12,14H2.
What are the key properties of 3-benzyl-9H-fluorene?
3-benzyl-9H-fluorene has a molecular weight of 256.35 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-9H-fluorene is sourced from PubChem (CID 57310019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).