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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Related Compounds

1-(4-chlorophenyl)-7-methyl-3,9-diphenyl-9H-fluorene
CID 57338546
1-(4-bromophenyl)-7-methyl-3,9-diphenyl-9H-fluorene
CID 57338547
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline
CID 145060230
N,4-diphenyl-N-[4-[4-(6,8,9-triphenyl-9H-fluoren-3-yl)phenyl]phenyl]aniline
CID 129256095
9-[4-[4-[4-(9H-fluoren-9-yl)phenyl]-2-phenylphenyl]phenyl]-9H-fluorene
CID 58556035
2-fluoro-1,3,5-triphenylbenzene
CID 146653815
5-fluoro-2-phenylindene-1,3-dione
CID 3043662
3,5,7-triphenyl-3H-1-benzofuran-2-one
CID 21133214
10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene
CID 158775049
9-[(9R)-2-fluoro-9H-fluoren-9-yl]anthracene
CID 86337156
2-[3-(7,12-diphenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyridine;2-[3-(11,12-diphenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyridine;10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene
CID 158775048
9-[4-[4-[4-(9H-fluoren-9-yl)-2-phenylphenyl]phenyl]phenyl]-9H-fluorene
CID 58556038

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).