2,3,6-trifluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene

C26H12F6 — CID 87425803

IUPAC2,3,6-trifluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene
SMILESFc1ccc2c(-c3ccccc3)c3cc(F)c(F)cc3c(-c3cc(F)c(F)c(F)c3)c2c1
InChIInChI=1S/C26H12F6/c27-15-6-7-16-17(10-15)25(14-8-22(30)26(32)23(31)9-14)19-12-21(29)20(28)11-18(19)24(16)13-4-2-1-3-5-13/h1-12H
InChIKeyJQTBUWGVZTUNOK-UHFFFAOYSA-N
MW438.37 g/mol
LogP8.16
Rot. Bonds2

About 2,3,6-trifluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene

2,3,6-trifluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene (PubChem CID 87425803) has the molecular formula C26H12F6 and a molecular weight of 438.37 g/mol. Its IUPAC name is 2,3,6-trifluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene.

Molecular Properties

Compound Name2,3,6-trifluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene
PubChem CID87425803
Molecular FormulaC26H12F6
Molecular Weight438.37 g/mol
Exact Mass438.08
IUPAC Name2,3,6-trifluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene
SMILESFc1ccc2c(-c3ccccc3)c3cc(F)c(F)cc3c(-c3cc(F)c(F)c(F)c3)c2c1
InChIInChI=1S/C26H12F6/c27-15-6-7-16-17(10-15)25(14-8-22(30)26(32)23(31)9-14)19-12-21(29)20(28)11-18(19)24(16)13-4-2-1-3-5-13/h1-12H
InChIKeyJQTBUWGVZTUNOK-UHFFFAOYSA-N
XLogP8.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.37
LogP ≤ 58.16
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

10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene
CID 88877574
1-fluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene
CID 87428590
2-fluoro-9,10-bis(2,3,5,6-tetrafluorophenyl)anthracene
CID 87425635
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
6-fluoro-1,3-diphenylcyclopenta[a]indene-2,4-dione
CID 163600910
10-(2,4-difluorophenyl)-2,3,6-trifluoro-9-(4-methoxyphenyl)anthracene
CID 88877602
7-fluoro-4-(4-fluorophenyl)-1-phenyl-2-propan-2-ylnaphthalene
CID 71425194
9,10-bis(2,4-difluorophenyl)-2,3-difluoroanthracene
CID 87425893
9,10-bis(2,4-difluorophenyl)-2-fluoroanthracene
CID 87425597
9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-phenylanthracene
CID 87429066
3,6-bis[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307012

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trifluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene?
The IUPAC name of 2,3,6-trifluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene (CID 87425803) is 2,3,6-trifluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene.
What is the SMILES notation for 2,3,6-trifluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene?
The canonical SMILES for 2,3,6-trifluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene is Fc1ccc2c(-c3ccccc3)c3cc(F)c(F)cc3c(-c3cc(F)c(F)c(F)c3)c2c1.
What is the InChIKey of 2,3,6-trifluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene?
The InChIKey is JQTBUWGVZTUNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12F6/c27-15-6-7-16-17(10-15)25(14-8-22(30)26(32)23(31)9-14)19-12-21(29)20(28)11-18(19)24(16)13-4-2-1-3-5-13/h1-12H.
What are the key properties of 2,3,6-trifluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene?
2,3,6-trifluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene has a molecular weight of 438.37 g/mol, XLogP of 8.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trifluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene is sourced from PubChem (CID 87425803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).