9-benzyl-2,7-dichloro-9H-fluorene

C20H14Cl2 — CID 170552578

IUPAC9-benzyl-2,7-dichloro-9H-fluorene
SMILESClc1ccc2c(c1)C(Cc1ccccc1)c1cc(Cl)ccc1-2
InChIInChI=1S/C20H14Cl2/c21-14-6-8-16-17-9-7-15(22)12-20(17)18(19(16)11-14)10-13-4-2-1-3-5-13/h1-9,11-12,18H,10H2
InChIKeyIXJWDTNKDVPLOK-UHFFFAOYSA-N
MW325.24 g/mol
LogP6.35
Rot. Bonds2

About 9-benzyl-2,7-dichloro-9H-fluorene

9-benzyl-2,7-dichloro-9H-fluorene (PubChem CID 170552578) has the molecular formula C20H14Cl2 and a molecular weight of 325.24 g/mol. Its IUPAC name is 9-benzyl-2,7-dichloro-9H-fluorene.

Molecular Properties

Compound Name9-benzyl-2,7-dichloro-9H-fluorene
PubChem CID170552578
Molecular FormulaC20H14Cl2
Molecular Weight325.24 g/mol
Exact Mass324.05
IUPAC Name9-benzyl-2,7-dichloro-9H-fluorene
SMILESClc1ccc2c(c1)C(Cc1ccccc1)c1cc(Cl)ccc1-2
InChIInChI=1S/C20H14Cl2/c21-14-6-8-16-17-9-7-15(22)12-20(17)18(19(16)11-14)10-13-4-2-1-3-5-13/h1-9,11-12,18H,10H2
InChIKeyIXJWDTNKDVPLOK-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.24
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-2,7-dichloro-9H-fluorene?
The IUPAC name of 9-benzyl-2,7-dichloro-9H-fluorene (CID 170552578) is 9-benzyl-2,7-dichloro-9H-fluorene.
What is the SMILES notation for 9-benzyl-2,7-dichloro-9H-fluorene?
The canonical SMILES for 9-benzyl-2,7-dichloro-9H-fluorene is Clc1ccc2c(c1)C(Cc1ccccc1)c1cc(Cl)ccc1-2.
What is the InChIKey of 9-benzyl-2,7-dichloro-9H-fluorene?
The InChIKey is IXJWDTNKDVPLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2/c21-14-6-8-16-17-9-7-15(22)12-20(17)18(19(16)11-14)10-13-4-2-1-3-5-13/h1-9,11-12,18H,10H2.
What are the key properties of 9-benzyl-2,7-dichloro-9H-fluorene?
9-benzyl-2,7-dichloro-9H-fluorene has a molecular weight of 325.24 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-2,7-dichloro-9H-fluorene is sourced from PubChem (CID 170552578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).