7-fluoro-1,3,9-triphenyl-9H-fluorene

C31H21F — CID 57338507

IUPAC7-fluoro-1,3,9-triphenyl-9H-fluorene
SMILESFc1ccc2c(c1)C(c1ccccc1)c1c(-c3ccccc3)cc(-c3ccccc3)cc1-2
InChIInChI=1S/C31H21F/c32-25-16-17-26-28-19-24(21-10-4-1-5-11-21)18-27(22-12-6-2-7-13-22)31(28)30(29(26)20-25)23-14-8-3-9-15-23/h1-20,30H
InChIKeyOTZRNKYXPCNTBP-UHFFFAOYSA-N
MW412.51 g/mol
LogP8.32
Rot. Bonds3

About 7-fluoro-1,3,9-triphenyl-9H-fluorene

7-fluoro-1,3,9-triphenyl-9H-fluorene (PubChem CID 57338507) has the molecular formula C31H21F and a molecular weight of 412.51 g/mol. Its IUPAC name is 7-fluoro-1,3,9-triphenyl-9H-fluorene.

Molecular Properties

Compound Name7-fluoro-1,3,9-triphenyl-9H-fluorene
PubChem CID57338507
Molecular FormulaC31H21F
Molecular Weight412.51 g/mol
Exact Mass412.16
IUPAC Name7-fluoro-1,3,9-triphenyl-9H-fluorene
SMILESFc1ccc2c(c1)C(c1ccccc1)c1c(-c3ccccc3)cc(-c3ccccc3)cc1-2
InChIInChI=1S/C31H21F/c32-25-16-17-26-28-19-24(21-10-4-1-5-11-21)18-27(22-12-6-2-7-13-22)31(28)30(29(26)20-25)23-14-8-3-9-15-23/h1-20,30H
InChIKeyOTZRNKYXPCNTBP-UHFFFAOYSA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.51
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,3,9-triphenyl-9H-fluorene?
The IUPAC name of 7-fluoro-1,3,9-triphenyl-9H-fluorene (CID 57338507) is 7-fluoro-1,3,9-triphenyl-9H-fluorene.
What is the SMILES notation for 7-fluoro-1,3,9-triphenyl-9H-fluorene?
The canonical SMILES for 7-fluoro-1,3,9-triphenyl-9H-fluorene is Fc1ccc2c(c1)C(c1ccccc1)c1c(-c3ccccc3)cc(-c3ccccc3)cc1-2.
What is the InChIKey of 7-fluoro-1,3,9-triphenyl-9H-fluorene?
The InChIKey is OTZRNKYXPCNTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21F/c32-25-16-17-26-28-19-24(21-10-4-1-5-11-21)18-27(22-12-6-2-7-13-22)31(28)30(29(26)20-25)23-14-8-3-9-15-23/h1-20,30H.
What are the key properties of 7-fluoro-1,3,9-triphenyl-9H-fluorene?
7-fluoro-1,3,9-triphenyl-9H-fluorene has a molecular weight of 412.51 g/mol, XLogP of 8.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,3,9-triphenyl-9H-fluorene is sourced from PubChem (CID 57338507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).