2,3-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)anthracene

C27H9F11O — CID 87458041

IUPAC2,3-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)anthracene
SMILESCOc1c(F)c(F)c(-c2c3ccccc3c(-c3c(F)c(F)c(F)c(F)c3F)c3cc(F)c(F)cc23)c(F)c1F
InChIInChI=1S/C27H9F11O/c1-39-27-25(37)20(32)17(21(33)26(27)38)15-9-5-3-2-4-8(9)14(10-6-12(28)13(29)7-11(10)15)16-18(30)22(34)24(36)23(35)19(16)31/h2-7H,1H3
InChIKeyLZPNOSNEWVYJGN-UHFFFAOYSA-N
MW558.35 g/mol
LogP8.87
Rot. Bonds3

About 2,3-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)anthracene

2,3-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)anthracene (PubChem CID 87458041) has the molecular formula C27H9F11O and a molecular weight of 558.35 g/mol. Its IUPAC name is 2,3-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)anthracene.

Molecular Properties

Compound Name2,3-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)anthracene
PubChem CID87458041
Molecular FormulaC27H9F11O
Molecular Weight558.35 g/mol
Exact Mass558.05
IUPAC Name2,3-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)anthracene
SMILESCOc1c(F)c(F)c(-c2c3ccccc3c(-c3c(F)c(F)c(F)c(F)c3F)c3cc(F)c(F)cc23)c(F)c1F
InChIInChI=1S/C27H9F11O/c1-39-27-25(37)20(32)17(21(33)26(27)38)15-9-5-3-2-4-8(9)14(10-6-12(28)13(29)7-11(10)15)16-18(30)22(34)24(36)23(35)19(16)31/h2-7H,1H3
InChIKeyLZPNOSNEWVYJGN-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': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2,3-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)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 2,3-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)anthracene?
The IUPAC name of 2,3-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)anthracene (CID 87458041) is 2,3-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)anthracene.
What is the SMILES notation for 2,3-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)anthracene?
The canonical SMILES for 2,3-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)anthracene is COc1c(F)c(F)c(-c2c3ccccc3c(-c3c(F)c(F)c(F)c(F)c3F)c3cc(F)c(F)cc23)c(F)c1F.
What is the InChIKey of 2,3-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)anthracene?
The InChIKey is LZPNOSNEWVYJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H9F11O/c1-39-27-25(37)20(32)17(21(33)26(27)38)15-9-5-3-2-4-8(9)14(10-6-12(28)13(29)7-11(10)15)16-18(30)22(34)24(36)23(35)19(16)31/h2-7H,1H3.
What are the key properties of 2,3-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)anthracene?
2,3-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)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 2,3-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)anthracene is sourced from PubChem (CID 87458041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).