9-(3,4-difluorophenyl)-1,2,3,4,5,6,7,8-octafluoro-10-(4-methoxyphenyl)anthracene

C27H10F10O — CID 87458156

IUPAC9-(3,4-difluorophenyl)-1,2,3,4,5,6,7,8-octafluoro-10-(4-methoxyphenyl)anthracene
SMILESCOc1ccc(-c2c3c(F)c(F)c(F)c(F)c3c(-c3ccc(F)c(F)c3)c3c(F)c(F)c(F)c(F)c23)cc1
InChIInChI=1S/C27H10F10O/c1-38-11-5-2-9(3-6-11)14-16-18(22(32)26(36)24(34)20(16)30)15(10-4-7-12(28)13(29)8-10)19-17(14)21(31)25(35)27(37)23(19)33/h2-8H,1H3
InChIKeyIPMJWUIDJGVDLH-UHFFFAOYSA-N
MW540.36 g/mol
LogP8.73
Rot. Bonds3

About 9-(3,4-difluorophenyl)-1,2,3,4,5,6,7,8-octafluoro-10-(4-methoxyphenyl)anthracene

9-(3,4-difluorophenyl)-1,2,3,4,5,6,7,8-octafluoro-10-(4-methoxyphenyl)anthracene (PubChem CID 87458156) has the molecular formula C27H10F10O and a molecular weight of 540.36 g/mol. Its IUPAC name is 9-(3,4-difluorophenyl)-1,2,3,4,5,6,7,8-octafluoro-10-(4-methoxyphenyl)anthracene.

Molecular Properties

Compound Name9-(3,4-difluorophenyl)-1,2,3,4,5,6,7,8-octafluoro-10-(4-methoxyphenyl)anthracene
PubChem CID87458156
Molecular FormulaC27H10F10O
Molecular Weight540.36 g/mol
Exact Mass540.06
IUPAC Name9-(3,4-difluorophenyl)-1,2,3,4,5,6,7,8-octafluoro-10-(4-methoxyphenyl)anthracene
SMILESCOc1ccc(-c2c3c(F)c(F)c(F)c(F)c3c(-c3ccc(F)c(F)c3)c3c(F)c(F)c(F)c(F)c23)cc1
InChIInChI=1S/C27H10F10O/c1-38-11-5-2-9(3-6-11)14-16-18(22(32)26(36)24(34)20(16)30)15(10-4-7-12(28)13(29)8-10)19-17(14)21(31)25(35)27(37)23(19)33/h2-8H,1H3
InChIKeyIPMJWUIDJGVDLH-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 9-(3,4-difluorophenyl)-1,2,3,4,5,6,7,8-octafluoro-10-(4-methoxyphenyl)anthracene with MolForge

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Related Compounds

1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(4-methoxyphenyl)phenyl]benzene
CID 102219520
1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
CID 121356402
2-(3,4-difluorophenyl)-4-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-phenylthiophene
CID 141206088
1,2,3,4,5-pentafluoro-9-(4-methoxyphenyl)-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)anthracene
CID 87428594
10-(2,6-difluoro-4-methoxyphenyl)-9-(3,4-difluorophenyl)-1,4,6-trifluoroanthracene
CID 88877447
9-(2,6-difluoro-4-methoxyphenyl)-10-(3,4-difluorophenyl)-1,4,6-trifluoroanthracene
CID 87457374
1-(3,4-difluorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene
CID 118595772
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
1-bromo-3-(3,4-difluorophenyl)-6-methoxyimidazo[1,5-a]pyridine
CID 84745174
1,4,6-trifluoro-9-(4-methoxyphenyl)-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)anthracene
CID 87428478
1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene
CID 139240862
1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-(trifluoromethyl)benzene
CID 71424392

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-difluorophenyl)-1,2,3,4,5,6,7,8-octafluoro-10-(4-methoxyphenyl)anthracene?
The IUPAC name of 9-(3,4-difluorophenyl)-1,2,3,4,5,6,7,8-octafluoro-10-(4-methoxyphenyl)anthracene (CID 87458156) is 9-(3,4-difluorophenyl)-1,2,3,4,5,6,7,8-octafluoro-10-(4-methoxyphenyl)anthracene.
What is the SMILES notation for 9-(3,4-difluorophenyl)-1,2,3,4,5,6,7,8-octafluoro-10-(4-methoxyphenyl)anthracene?
The canonical SMILES for 9-(3,4-difluorophenyl)-1,2,3,4,5,6,7,8-octafluoro-10-(4-methoxyphenyl)anthracene is COc1ccc(-c2c3c(F)c(F)c(F)c(F)c3c(-c3ccc(F)c(F)c3)c3c(F)c(F)c(F)c(F)c23)cc1.
What is the InChIKey of 9-(3,4-difluorophenyl)-1,2,3,4,5,6,7,8-octafluoro-10-(4-methoxyphenyl)anthracene?
The InChIKey is IPMJWUIDJGVDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H10F10O/c1-38-11-5-2-9(3-6-11)14-16-18(22(32)26(36)24(34)20(16)30)15(10-4-7-12(28)13(29)8-10)19-17(14)21(31)25(35)27(37)23(19)33/h2-8H,1H3.
What are the key properties of 9-(3,4-difluorophenyl)-1,2,3,4,5,6,7,8-octafluoro-10-(4-methoxyphenyl)anthracene?
9-(3,4-difluorophenyl)-1,2,3,4,5,6,7,8-octafluoro-10-(4-methoxyphenyl)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 9-(3,4-difluorophenyl)-1,2,3,4,5,6,7,8-octafluoro-10-(4-methoxyphenyl)anthracene is sourced from PubChem (CID 87458156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).