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

C26F18 — CID 87428669

IUPAC1,2,3,4,5,6,7,8-octafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene
SMILESFc1c(F)c(F)c(-c2c3c(F)c(F)c(F)c(F)c3c(-c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c23)c(F)c1F
InChIInChI=1S/C26F18/c27-9-3-1(7-13(31)21(39)25(43)22(40)14(7)32)4-6(12(30)20(38)18(36)10(4)28)2(5(3)11(29)19(37)17(9)35)8-15(33)23(41)26(44)24(42)16(8)34
InChIKeyWOGZNJIWILBDNZ-UHFFFAOYSA-N
MW654.25 g/mol
LogP9.83
Rot. Bonds2

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

1,2,3,4,5,6,7,8-octafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene (PubChem CID 87428669) has the molecular formula C26F18 and a molecular weight of 654.25 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene
PubChem CID87428669
Molecular FormulaC26F18
Molecular Weight654.25 g/mol
Exact Mass653.97
IUPAC Name1,2,3,4,5,6,7,8-octafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene
SMILESFc1c(F)c(F)c(-c2c3c(F)c(F)c(F)c(F)c3c(-c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c23)c(F)c1F
InChIInChI=1S/C26F18/c27-9-3-1(7-13(31)21(39)25(43)22(40)14(7)32)4-6(12(30)20(38)18(36)10(4)28)2(5(3)11(29)19(37)17(9)35)8-15(33)23(41)26(44)24(42)16(8)34
InChIKeyWOGZNJIWILBDNZ-UHFFFAOYSA-N
XLogP9.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.25
LogP ≤ 59.83
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

7-Fluorobenzo(a)pyrene
CID 51336
10-Fluorobenzo(a)pyrene
CID 52859
8-Fluorobenzo(a)pyrene
CID 51254
6-Fluorobenzo(a)pyrene
CID 100250
9-Fluorobenzo(a)pyrene
CID 51255
Anthracene, decafluoro-
CID 137094
Pyrene, decafluoro-
CID 137032
1,2,3,4,5,6,8-Heptafluoro-7-methylnaphthalene
CID 3905536
1,2,3,4,5,6,7,8,9,10,11,12-Dodecafluorochrysene
CID 12588587
1,2,3,4,5,6,7,8-Octafluoro-9,10-bis[4-(trifluoromethyl)phenyl]anthracene
CID 99652908
Phenanthrene, decafluoro-
CID 123121
Perfluoro(2-methylnaphthalene)
CID 4313794

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene?
The IUPAC name of 1,2,3,4,5,6,7,8-octafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene (CID 87428669) is 1,2,3,4,5,6,7,8-octafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene?
The canonical SMILES for 1,2,3,4,5,6,7,8-octafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene is Fc1c(F)c(F)c(-c2c3c(F)c(F)c(F)c(F)c3c(-c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c23)c(F)c1F.
What is the InChIKey of 1,2,3,4,5,6,7,8-octafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene?
The InChIKey is WOGZNJIWILBDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26F18/c27-9-3-1(7-13(31)21(39)25(43)22(40)14(7)32)4-6(12(30)20(38)18(36)10(4)28)2(5(3)11(29)19(37)17(9)35)8-15(33)23(41)26(44)24(42)16(8)34.
What are the key properties of 1,2,3,4,5,6,7,8-octafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene?
1,2,3,4,5,6,7,8-octafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene has a molecular weight of 654.25 g/mol, XLogP of 9.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene is sourced from PubChem (CID 87428669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).