9-benzyl-9H-fluorene

C20H16 — CID 15296

IUPAC9-benzyl-9H-fluorene
SMILESc1ccc(CC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C20H16/c1-2-8-15(9-3-1)14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20H,14H2
InChIKeyZBQLAOVNDBNMFI-UHFFFAOYSA-N
MW256.35 g/mol
LogP5.04
Rot. Bonds2

About 9-benzyl-9H-fluorene

9-benzyl-9H-fluorene (PubChem CID 15296) has the molecular formula C20H16 and a molecular weight of 256.35 g/mol. Its IUPAC name is 9-benzyl-9H-fluorene.

Molecular Properties

Compound Name9-benzyl-9H-fluorene
PubChem CID15296
Molecular FormulaC20H16
Molecular Weight256.35 g/mol
Exact Mass256.13
IUPAC Name9-benzyl-9H-fluorene
SMILESc1ccc(CC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C20H16/c1-2-8-15(9-3-1)14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20H,14H2
InChIKeyZBQLAOVNDBNMFI-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.35
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Fluorene
CID 6853
3-Methylcholanthrene
CID 1674
Benzo(B)Fluoranthene
CID 9153
Fluoranthene
CID 9154
Benzo(K)Fluoranthene
CID 9158
Acenaphthene
CID 6734
Benzo(J)Fluoranthene
CID 9152
O-Terphenyl
CID 6766
Benzo(a)fluoranthene
CID 9146
Triphenylethylene
CID 6025
11H-Benzo(a)fluorene
CID 9195
11H-Benzo(b)fluorene
CID 9201

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-9H-fluorene?
The IUPAC name of 9-benzyl-9H-fluorene (CID 15296) is 9-benzyl-9H-fluorene.
What is the SMILES notation for 9-benzyl-9H-fluorene?
The canonical SMILES for 9-benzyl-9H-fluorene is c1ccc(CC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-benzyl-9H-fluorene?
The InChIKey is ZBQLAOVNDBNMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16/c1-2-8-15(9-3-1)14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20H,14H2.
What are the key properties of 9-benzyl-9H-fluorene?
9-benzyl-9H-fluorene has a molecular weight of 256.35 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-9H-fluorene is sourced from PubChem (CID 15296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).