1,2,3,4,6-pentafluoro-9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene

C28H3F19 — CID 87428714

IUPAC1,2,3,4,6-pentafluoro-9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
SMILESFc1ccc2c(-c3c(F)c(F)c(C(F)(F)F)c(F)c3F)c3c(F)c(F)c(F)c(F)c3c(-c3c(F)c(F)c(C(F)(F)F)c(F)c3F)c2c1
InChIInChI=1S/C28H3F19/c29-4-1-2-5-6(3-4)8(12-19(34)23(38)14(28(45,46)47)24(39)20(12)35)10-9(15(30)25(40)26(41)16(10)31)7(5)11-17(32)21(36)13(27(42,43)44)22(37)18(11)33/h1-3H
InChIKeyKETRAVCYRHMZCR-UHFFFAOYSA-N
MW700.29 g/mol
LogP11.17
Rot. Bonds2

About 1,2,3,4,6-pentafluoro-9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene

1,2,3,4,6-pentafluoro-9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene (PubChem CID 87428714) has the molecular formula C28H3F19 and a molecular weight of 700.29 g/mol. Its IUPAC name is 1,2,3,4,6-pentafluoro-9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene.

Molecular Properties

Compound Name1,2,3,4,6-pentafluoro-9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
PubChem CID87428714
Molecular FormulaC28H3F19
Molecular Weight700.29 g/mol
Exact Mass699.99
IUPAC Name1,2,3,4,6-pentafluoro-9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
SMILESFc1ccc2c(-c3c(F)c(F)c(C(F)(F)F)c(F)c3F)c3c(F)c(F)c(F)c(F)c3c(-c3c(F)c(F)c(C(F)(F)F)c(F)c3F)c2c1
InChIInChI=1S/C28H3F19/c29-4-1-2-5-6(3-4)8(12-19(34)23(38)14(28(45,46)47)24(39)20(12)35)10-9(15(30)25(40)26(41)16(10)31)7(5)11-17(32)21(36)13(27(42,43)44)22(37)18(11)33/h1-3H
InChIKeyKETRAVCYRHMZCR-UHFFFAOYSA-N
XLogP11.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.29
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

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Related Compounds

1,2,3,4,6-pentafluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
CID 87428315
10-(2,6-difluoro-4-methoxyphenyl)-1,2,3,4,6-pentafluoro-9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
CID 88877460
9-(2,6-difluoro-4-methoxyphenyl)-1,2,3,4,6-pentafluoro-10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
CID 87425822
1,2,3,4,6-pentafluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene
CID 88877500
1,4,6-trifluoro-9-(4-methoxyphenyl)-10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
CID 87428650
9-(2,4-difluorophenyl)-1,2,3,4,5-pentafluoro-10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
CID 87428335
1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
CID 88877549
9,10-bis(2,6-difluoro-4-methoxyphenyl)-1,2,3,4,6-pentafluoroanthracene
CID 87457206
9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene
CID 87457689
1,4-difluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
CID 87457317
1,2,3,4,5,6,8-heptafluoro-7-(trifluoromethyl)naphthalene
CID 4313794
9-(2,6-difluoro-4-methoxyphenyl)-1-fluoro-10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
CID 87429050

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6-pentafluoro-9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene?
The IUPAC name of 1,2,3,4,6-pentafluoro-9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene (CID 87428714) is 1,2,3,4,6-pentafluoro-9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene.
What is the SMILES notation for 1,2,3,4,6-pentafluoro-9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene?
The canonical SMILES for 1,2,3,4,6-pentafluoro-9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene is Fc1ccc2c(-c3c(F)c(F)c(C(F)(F)F)c(F)c3F)c3c(F)c(F)c(F)c(F)c3c(-c3c(F)c(F)c(C(F)(F)F)c(F)c3F)c2c1.
What is the InChIKey of 1,2,3,4,6-pentafluoro-9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene?
The InChIKey is KETRAVCYRHMZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H3F19/c29-4-1-2-5-6(3-4)8(12-19(34)23(38)14(28(45,46)47)24(39)20(12)35)10-9(15(30)25(40)26(41)16(10)31)7(5)11-17(32)21(36)13(27(42,43)44)22(37)18(11)33/h1-3H.
What are the key properties of 1,2,3,4,6-pentafluoro-9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene?
1,2,3,4,6-pentafluoro-9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene has a molecular weight of 700.29 g/mol, XLogP of 11.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6-pentafluoro-9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene is sourced from PubChem (CID 87428714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).