10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene

C26H15F3 — CID 88877574

IUPAC10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene
SMILESFc1ccc2c(-c3ccc(F)c(F)c3)c3ccccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C26H15F3/c27-18-11-12-21-22(15-18)25(16-6-2-1-3-7-16)19-8-4-5-9-20(19)26(21)17-10-13-23(28)24(29)14-17/h1-15H
InChIKeyJNCRWBJUZQJQGU-UHFFFAOYSA-N
MW384.40 g/mol
LogP7.74
Rot. Bonds2

About 10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene

10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene (PubChem CID 88877574) has the molecular formula C26H15F3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene.

Molecular Properties

Compound Name10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene
PubChem CID88877574
Molecular FormulaC26H15F3
Molecular Weight384.40 g/mol
Exact Mass384.11
IUPAC Name10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene
SMILESFc1ccc2c(-c3ccc(F)c(F)c3)c3ccccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C26H15F3/c27-18-11-12-21-22(15-18)25(16-6-2-1-3-7-16)19-8-4-5-9-20(19)26(21)17-10-13-23(28)24(29)14-17/h1-15H
InChIKeyJNCRWBJUZQJQGU-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.40
LogP ≤ 57.74
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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Frequently Asked Questions

What is the IUPAC name of 10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene?
The IUPAC name of 10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene (CID 88877574) is 10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene.
What is the SMILES notation for 10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene?
The canonical SMILES for 10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene is Fc1ccc2c(-c3ccc(F)c(F)c3)c3ccccc3c(-c3ccccc3)c2c1.
What is the InChIKey of 10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene?
The InChIKey is JNCRWBJUZQJQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15F3/c27-18-11-12-21-22(15-18)25(16-6-2-1-3-7-16)19-8-4-5-9-20(19)26(21)17-10-13-23(28)24(29)14-17/h1-15H.
What are the key properties of 10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene?
10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene has a molecular weight of 384.40 g/mol, XLogP of 7.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene is sourced from PubChem (CID 88877574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).