1-fluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene

C26H14F4 — CID 87428590

IUPAC1-fluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene
SMILESFc1cc(-c2c3ccccc3c(-c3ccccc3)c3c(F)cccc23)cc(F)c1F
InChIInChI=1S/C26H14F4/c27-20-12-6-11-19-23(16-13-21(28)26(30)22(29)14-16)17-9-4-5-10-18(17)24(25(19)20)15-7-2-1-3-8-15/h1-14H
InChIKeyTUXFDSYOKDBFNV-UHFFFAOYSA-N
MW402.39 g/mol
LogP7.88
Rot. Bonds2

About 1-fluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene

1-fluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene (PubChem CID 87428590) has the molecular formula C26H14F4 and a molecular weight of 402.39 g/mol. Its IUPAC name is 1-fluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene.

Molecular Properties

Compound Name1-fluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene
PubChem CID87428590
Molecular FormulaC26H14F4
Molecular Weight402.39 g/mol
Exact Mass402.10
IUPAC Name1-fluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene
SMILESFc1cc(-c2c3ccccc3c(-c3ccccc3)c3c(F)cccc23)cc(F)c1F
InChIInChI=1S/C26H14F4/c27-20-12-6-11-19-23(16-13-21(28)26(30)22(29)14-16)17-9-4-5-10-18(17)24(25(19)20)15-7-2-1-3-8-15/h1-14H
InChIKeyTUXFDSYOKDBFNV-UHFFFAOYSA-N
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.39
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-(3,4,5-trifluorophenyl)anthracene
CID 87428610
9-(3,4-difluorophenyl)-1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene
CID 87428392
2,3,6-trifluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene
CID 87425803
1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(3,4,5-trifluorophenyl)anthracene
CID 87425986
10-(2,4-difluorophenyl)-1,4,5-trifluoro-9-phenylanthracene
CID 88877437
5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene
CID 58846893
10-(2,6-difluoro-4-methoxyphenyl)-1,6,7-trifluoro-9-(3,4,5-trifluorophenyl)anthracene
CID 87426010
5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene
CID 58846897
5-fluoro-13-[4-(4-phenylphenyl)phenyl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 58160942
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
2-(4-fluoronaphthalen-1-yl)-7-[10-(3,4,5-trifluorophenyl)anthracen-9-yl]pyrene
CID 167155226
10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene
CID 88877574

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene?
The IUPAC name of 1-fluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene (CID 87428590) is 1-fluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene.
What is the SMILES notation for 1-fluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene?
The canonical SMILES for 1-fluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene is Fc1cc(-c2c3ccccc3c(-c3ccccc3)c3c(F)cccc23)cc(F)c1F.
What is the InChIKey of 1-fluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene?
The InChIKey is TUXFDSYOKDBFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F4/c27-20-12-6-11-19-23(16-13-21(28)26(30)22(29)14-16)17-9-4-5-10-18(17)24(25(19)20)15-7-2-1-3-8-15/h1-14H.
What are the key properties of 1-fluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene?
1-fluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene has a molecular weight of 402.39 g/mol, XLogP of 7.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene is sourced from PubChem (CID 87428590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).