9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene;9-(2-fluorophenyl)anthracene;9-(2,3,4,5,6-pentafluorophenyl)anthracene;9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene

C89H39F27 — CID 161049041

IUPAC9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene;9-(2-fluorophenyl)anthracene;9-(2,3,4,5,6-pentafluorophenyl)anthracene;9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
SMILESFc1c(F)c(C(F)(F)F)c(F)c(F)c1-c1c2ccccc2c(-c2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2ccccc12.Fc1c(F)c(C(F)(F)F)c(F)c(F)c1-c1c2ccccc2cc2ccccc12.Fc1c(F)c(F)c(-c2c3ccccc3cc3ccccc23)c(F)c1F.Fc1ccccc1-c1c2ccccc2cc2ccccc12
InChIInChI=1S/C28H8F14.C21H9F7.C20H9F5.C20H13F/c29-19-15(20(30)24(34)17(23(19)33)27(37,38)39)13-9-5-1-2-6-10(9)14(12-8-4-3-7-11(12)13)16-21(31)25(35)18(28(40,41)42)26(36)22(16)32;22-17-15(18(23)20(25)16(19(17)24)21(26,27)28)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;21-16-15(17(22)19(24)20(25)18(16)23)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;21-19-12-6-5-11-18(19)20-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)20/h1-8H;1-9H;1-9H;1-13H
InChIKeyUBWRJIQUPDPWDK-UHFFFAOYSA-N
MW1621.24 g/mol
LogP29.87
Rot. Bonds5

About 9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene;9-(2-fluorophenyl)anthracene;9-(2,3,4,5,6-pentafluorophenyl)anthracene;9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene

9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene;9-(2-fluorophenyl)anthracene;9-(2,3,4,5,6-pentafluorophenyl)anthracene;9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene (PubChem CID 161049041) has the molecular formula C89H39F27 and a molecular weight of 1621.24 g/mol. Its IUPAC name is 9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene;9-(2-fluorophenyl)anthracene;9-(2,3,4,5,6-pentafluorophenyl)anthracene;9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene.

Molecular Properties

Compound Name9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene;9-(2-fluorophenyl)anthracene;9-(2,3,4,5,6-pentafluorophenyl)anthracene;9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
PubChem CID161049041
Molecular FormulaC89H39F27
Molecular Weight1621.24 g/mol
Exact Mass1620.26
IUPAC Name9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene;9-(2-fluorophenyl)anthracene;9-(2,3,4,5,6-pentafluorophenyl)anthracene;9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
SMILESFc1c(F)c(C(F)(F)F)c(F)c(F)c1-c1c2ccccc2c(-c2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2ccccc12.Fc1c(F)c(C(F)(F)F)c(F)c(F)c1-c1c2ccccc2cc2ccccc12.Fc1c(F)c(F)c(-c2c3ccccc3cc3ccccc23)c(F)c1F.Fc1ccccc1-c1c2ccccc2cc2ccccc12
InChIInChI=1S/C28H8F14.C21H9F7.C20H9F5.C20H13F/c29-19-15(20(30)24(34)17(23(19)33)27(37,38)39)13-9-5-1-2-6-10(9)14(12-8-4-3-7-11(12)13)16-21(31)25(35)18(28(40,41)42)26(36)22(16)32;22-17-15(18(23)20(25)16(19(17)24)21(26,27)28)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;21-16-15(17(22)19(24)20(25)18(16)23)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;21-19-12-6-5-11-18(19)20-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)20/h1-8H;1-9H;1-9H;1-13H
InChIKeyUBWRJIQUPDPWDK-UHFFFAOYSA-N
XLogP29.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001621.24
LogP ≤ 529.87
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'}

Analyze 9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene;9-(2-fluorophenyl)anthracene;9-(2,3,4,5,6-pentafluorophenyl)anthracene;9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene;9-(2-fluorophenyl)anthracene;9-(2,3,4,5,6-pentafluorophenyl)anthracene;9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene?
The IUPAC name of 9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene;9-(2-fluorophenyl)anthracene;9-(2,3,4,5,6-pentafluorophenyl)anthracene;9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene (CID 161049041) is 9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene;9-(2-fluorophenyl)anthracene;9-(2,3,4,5,6-pentafluorophenyl)anthracene;9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene.
What is the SMILES notation for 9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene;9-(2-fluorophenyl)anthracene;9-(2,3,4,5,6-pentafluorophenyl)anthracene;9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene?
The canonical SMILES for 9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene;9-(2-fluorophenyl)anthracene;9-(2,3,4,5,6-pentafluorophenyl)anthracene;9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene is Fc1c(F)c(C(F)(F)F)c(F)c(F)c1-c1c2ccccc2c(-c2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2ccccc12.Fc1c(F)c(C(F)(F)F)c(F)c(F)c1-c1c2ccccc2cc2ccccc12.Fc1c(F)c(F)c(-c2c3ccccc3cc3ccccc23)c(F)c1F.Fc1ccccc1-c1c2ccccc2cc2ccccc12.
What is the InChIKey of 9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene;9-(2-fluorophenyl)anthracene;9-(2,3,4,5,6-pentafluorophenyl)anthracene;9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene?
The InChIKey is UBWRJIQUPDPWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H8F14.C21H9F7.C20H9F5.C20H13F/c29-19-15(20(30)24(34)17(23(19)33)27(37,38)39)13-9-5-1-2-6-10(9)14(12-8-4-3-7-11(12)13)16-21(31)25(35)18(28(40,41)42)26(36)22(16)32;22-17-15(18(23)20(25)16(19(17)24)21(26,27)28)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;21-16-15(17(22)19(24)20(25)18(16)23)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;21-19-12-6-5-11-18(19)20-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)20/h1-8H;1-9H;1-9H;1-13H.
What are the key properties of 9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene;9-(2-fluorophenyl)anthracene;9-(2,3,4,5,6-pentafluorophenyl)anthracene;9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene?
9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene;9-(2-fluorophenyl)anthracene;9-(2,3,4,5,6-pentafluorophenyl)anthracene;9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene has a molecular weight of 1621.24 g/mol, XLogP of 29.87, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene;9-(2-fluorophenyl)anthracene;9-(2,3,4,5,6-pentafluorophenyl)anthracene;9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene is sourced from PubChem (CID 161049041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).