9-(3-anthracen-9-yl-5-fluorophenyl)anthracene

C34H21F — CID 122597790

IUPAC9-(3-anthracen-9-yl-5-fluorophenyl)anthracene
SMILESFc1cc(-c2c3ccccc3cc3ccccc23)cc(-c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C34H21F/c35-28-20-26(33-29-13-5-1-9-22(29)17-23-10-2-6-14-30(23)33)19-27(21-28)34-31-15-7-3-11-24(31)18-25-12-4-8-16-32(25)34/h1-21H
InChIKeyASMICXSTKIXWEL-UHFFFAOYSA-N
MW448.54 g/mol
LogP9.77
Rot. Bonds2

About 9-(3-anthracen-9-yl-5-fluorophenyl)anthracene

9-(3-anthracen-9-yl-5-fluorophenyl)anthracene (PubChem CID 122597790) has the molecular formula C34H21F and a molecular weight of 448.54 g/mol. Its IUPAC name is 9-(3-anthracen-9-yl-5-fluorophenyl)anthracene.

Molecular Properties

Compound Name9-(3-anthracen-9-yl-5-fluorophenyl)anthracene
PubChem CID122597790
Molecular FormulaC34H21F
Molecular Weight448.54 g/mol
Exact Mass448.16
IUPAC Name9-(3-anthracen-9-yl-5-fluorophenyl)anthracene
SMILESFc1cc(-c2c3ccccc3cc3ccccc23)cc(-c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C34H21F/c35-28-20-26(33-29-13-5-1-9-22(29)17-23-10-2-6-14-30(23)33)19-27(21-28)34-31-15-7-3-11-24(31)18-25-12-4-8-16-32(25)34/h1-21H
InChIKeyASMICXSTKIXWEL-UHFFFAOYSA-N
XLogP9.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-anthracen-9-yl-5-fluoro-1-methylpyridin-1-ium
CID 139474801
2-anthracen-9-yl-7-(4-fluorophenyl)pyrene
CID 167155067
2-[10-(3,5-difluorophenyl)anthracen-9-yl]pyrene
CID 167155329
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
2-(4-anthracen-9-ylphenyl)triphenylene
CID 165006597
9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 86701353
CID 88960291
CID 88960291
2-[3,5-di(anthracen-9-yl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 88542086
9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene
CID 58321112
N,N,4-tris(4-anthracen-9-ylphenyl)aniline
CID 58383816
4-(4-anthracen-9-ylphenyl)-N,N-bis[4-(4-anthracen-9-ylphenyl)phenyl]aniline
CID 58383851
2-[3,5-di(anthracen-9-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 153465963

Frequently Asked Questions

What is the IUPAC name of 9-(3-anthracen-9-yl-5-fluorophenyl)anthracene?
The IUPAC name of 9-(3-anthracen-9-yl-5-fluorophenyl)anthracene (CID 122597790) is 9-(3-anthracen-9-yl-5-fluorophenyl)anthracene.
What is the SMILES notation for 9-(3-anthracen-9-yl-5-fluorophenyl)anthracene?
The canonical SMILES for 9-(3-anthracen-9-yl-5-fluorophenyl)anthracene is Fc1cc(-c2c3ccccc3cc3ccccc23)cc(-c2c3ccccc3cc3ccccc23)c1.
What is the InChIKey of 9-(3-anthracen-9-yl-5-fluorophenyl)anthracene?
The InChIKey is ASMICXSTKIXWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21F/c35-28-20-26(33-29-13-5-1-9-22(29)17-23-10-2-6-14-30(23)33)19-27(21-28)34-31-15-7-3-11-24(31)18-25-12-4-8-16-32(25)34/h1-21H.
What are the key properties of 9-(3-anthracen-9-yl-5-fluorophenyl)anthracene?
9-(3-anthracen-9-yl-5-fluorophenyl)anthracene has a molecular weight of 448.54 g/mol, XLogP of 9.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-anthracen-9-yl-5-fluorophenyl)anthracene is sourced from PubChem (CID 122597790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).