1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene

C27H9F11O — CID 88877439

IUPAC1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene
SMILESCOc1c(F)c(F)c(-c2c3cc(F)c(F)cc3c(-c3c(F)c(F)cc(F)c3F)c3c(F)cccc23)c(F)c1F
InChIInChI=1S/C27H9F11O/c1-39-27-25(37)23(35)19(24(36)26(27)38)16-8-3-2-4-11(28)17(8)18(10-6-13(30)12(29)5-9(10)16)20-21(33)14(31)7-15(32)22(20)34/h2-7H,1H3
InChIKeyJDUQYLLJKQADSW-UHFFFAOYSA-N
MW558.35 g/mol
LogP8.87
Rot. Bonds3

About 1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene

1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene (PubChem CID 88877439) has the molecular formula C27H9F11O and a molecular weight of 558.35 g/mol. Its IUPAC name is 1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene.

Molecular Properties

Compound Name1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene
PubChem CID88877439
Molecular FormulaC27H9F11O
Molecular Weight558.35 g/mol
Exact Mass558.05
IUPAC Name1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene
SMILESCOc1c(F)c(F)c(-c2c3cc(F)c(F)cc3c(-c3c(F)c(F)cc(F)c3F)c3c(F)cccc23)c(F)c1F
InChIInChI=1S/C27H9F11O/c1-39-27-25(37)23(35)19(24(36)26(27)38)16-8-3-2-4-11(28)17(8)18(10-6-13(30)12(29)5-9(10)16)20-21(33)14(31)7-15(32)22(20)34/h2-7H,1H3
InChIKeyJDUQYLLJKQADSW-UHFFFAOYSA-N
XLogP8.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.35
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene?
The IUPAC name of 1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene (CID 88877439) is 1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene.
What is the SMILES notation for 1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene?
The canonical SMILES for 1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene is COc1c(F)c(F)c(-c2c3cc(F)c(F)cc3c(-c3c(F)c(F)cc(F)c3F)c3c(F)cccc23)c(F)c1F.
What is the InChIKey of 1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene?
The InChIKey is JDUQYLLJKQADSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H9F11O/c1-39-27-25(37)23(35)19(24(36)26(27)38)16-8-3-2-4-11(28)17(8)18(10-6-13(30)12(29)5-9(10)16)20-21(33)14(31)7-15(32)22(20)34/h2-7H,1H3.
What are the key properties of 1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene?
1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene has a molecular weight of 558.35 g/mol, XLogP of 8.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene is sourced from PubChem (CID 88877439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).