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

C27H8F12O — CID 87428777

IUPAC1,2,3,4-tetrafluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene
SMILESCOc1c(F)c(F)c(-c2c3ccccc3c(-c3c(F)c(F)cc(F)c3F)c3c(F)c(F)c(F)c(F)c23)c(F)c1F
InChIInChI=1S/C27H8F12O/c1-40-27-25(38)21(34)16(22(35)26(27)39)12-8-5-3-2-4-7(8)11(15-17(30)9(28)6-10(29)18(15)31)13-14(12)20(33)24(37)23(36)19(13)32/h2-6H,1H3
InChIKeyZKNHKCHQBDJEBH-UHFFFAOYSA-N
MW576.34 g/mol
LogP9.00
Rot. Bonds3

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

1,2,3,4-tetrafluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene (PubChem CID 87428777) has the molecular formula C27H8F12O and a molecular weight of 576.34 g/mol. Its IUPAC name is 1,2,3,4-tetrafluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene.

Molecular Properties

Compound Name1,2,3,4-tetrafluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene
PubChem CID87428777
Molecular FormulaC27H8F12O
Molecular Weight576.34 g/mol
Exact Mass576.04
IUPAC Name1,2,3,4-tetrafluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene
SMILESCOc1c(F)c(F)c(-c2c3ccccc3c(-c3c(F)c(F)cc(F)c3F)c3c(F)c(F)c(F)c(F)c23)c(F)c1F
InChIInChI=1S/C27H8F12O/c1-40-27-25(38)21(34)16(22(35)26(27)39)12-8-5-3-2-4-7(8)11(15-17(30)9(28)6-10(29)18(15)31)13-14(12)20(33)24(37)23(36)19(13)32/h2-6H,1H3
InChIKeyZKNHKCHQBDJEBH-UHFFFAOYSA-N
XLogP9.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.34
LogP ≤ 59.00
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 1,2,3,4-tetrafluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-(2,3,5,6-tetrafluorophenyl)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 1,2,3,4-tetrafluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene?
The IUPAC name of 1,2,3,4-tetrafluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene (CID 87428777) is 1,2,3,4-tetrafluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene.
What is the SMILES notation for 1,2,3,4-tetrafluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene?
The canonical SMILES for 1,2,3,4-tetrafluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene is COc1c(F)c(F)c(-c2c3ccccc3c(-c3c(F)c(F)cc(F)c3F)c3c(F)c(F)c(F)c(F)c23)c(F)c1F.
What is the InChIKey of 1,2,3,4-tetrafluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene?
The InChIKey is ZKNHKCHQBDJEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H8F12O/c1-40-27-25(38)21(34)16(22(35)26(27)39)12-8-5-3-2-4-7(8)11(15-17(30)9(28)6-10(29)18(15)31)13-14(12)20(33)24(37)23(36)19(13)32/h2-6H,1H3.
What are the key properties of 1,2,3,4-tetrafluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene?
1,2,3,4-tetrafluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene has a molecular weight of 576.34 g/mol, XLogP of 9.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrafluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene is sourced from PubChem (CID 87428777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).