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

C27H10F10O — CID 87425986

IUPAC1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(3,4,5-trifluorophenyl)anthracene
SMILESCOc1c(F)c(F)c(-c2c3cc(F)c(F)cc3c(-c3cc(F)c(F)c(F)c3)c3c(F)cccc23)c(F)c1F
InChIInChI=1S/C27H10F10O/c1-38-27-25(36)23(34)21(24(35)26(27)37)19-10-3-2-4-13(28)20(10)18(9-5-16(31)22(33)17(32)6-9)11-7-14(29)15(30)8-12(11)19/h2-8H,1H3
InChIKeyMKZPCBWFXIGIJX-UHFFFAOYSA-N
MW540.36 g/mol
LogP8.73
Rot. Bonds3

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

1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(3,4,5-trifluorophenyl)anthracene (PubChem CID 87425986) has the molecular formula C27H10F10O and a molecular weight of 540.36 g/mol. Its IUPAC name is 1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(3,4,5-trifluorophenyl)anthracene.

Molecular Properties

Compound Name1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(3,4,5-trifluorophenyl)anthracene
PubChem CID87425986
Molecular FormulaC27H10F10O
Molecular Weight540.36 g/mol
Exact Mass540.06
IUPAC Name1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(3,4,5-trifluorophenyl)anthracene
SMILESCOc1c(F)c(F)c(-c2c3cc(F)c(F)cc3c(-c3cc(F)c(F)c(F)c3)c3c(F)cccc23)c(F)c1F
InChIInChI=1S/C27H10F10O/c1-38-27-25(36)23(34)21(24(35)26(27)37)19-10-3-2-4-13(28)20(10)18(9-5-16(31)22(33)17(32)6-9)11-7-14(29)15(30)8-12(11)19/h2-8H,1H3
InChIKeyMKZPCBWFXIGIJX-UHFFFAOYSA-N
XLogP8.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.36
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(3,4,5-trifluorophenyl)anthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(3,4,5-trifluorophenyl)anthracene?
The IUPAC name of 1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(3,4,5-trifluorophenyl)anthracene (CID 87425986) is 1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(3,4,5-trifluorophenyl)anthracene.
What is the SMILES notation for 1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(3,4,5-trifluorophenyl)anthracene?
The canonical SMILES for 1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(3,4,5-trifluorophenyl)anthracene is COc1c(F)c(F)c(-c2c3cc(F)c(F)cc3c(-c3cc(F)c(F)c(F)c3)c3c(F)cccc23)c(F)c1F.
What is the InChIKey of 1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(3,4,5-trifluorophenyl)anthracene?
The InChIKey is MKZPCBWFXIGIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H10F10O/c1-38-27-25(36)23(34)21(24(35)26(27)37)19-10-3-2-4-13(28)20(10)18(9-5-16(31)22(33)17(32)6-9)11-7-14(29)15(30)8-12(11)19/h2-8H,1H3.
What are the key properties of 1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(3,4,5-trifluorophenyl)anthracene?
1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(3,4,5-trifluorophenyl)anthracene has a molecular weight of 540.36 g/mol, XLogP of 8.73, 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-(3,4,5-trifluorophenyl)anthracene is sourced from PubChem (CID 87425986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).