7-bromo-1,2,3,4-tetrafluoro-9-(2,3,4,5,6-pentafluorophenyl)acridine

C19H3BrF9N — CID 56834787

IUPAC7-bromo-1,2,3,4-tetrafluoro-9-(2,3,4,5,6-pentafluorophenyl)acridine
SMILESFc1c(F)c(F)c(-c2c3cc(Br)ccc3nc3c(F)c(F)c(F)c(F)c23)c(F)c1F
InChIInChI=1S/C19H3BrF9N/c20-4-1-2-6-5(3-4)7(8-10(21)13(24)16(27)14(25)11(8)22)9-12(23)15(26)17(28)18(29)19(9)30-6/h1-3H
InChIKeyQUQFISZGUYNOLI-UHFFFAOYSA-N
MW496.13 g/mol
LogP7.07
Rot. Bonds1

About 7-bromo-1,2,3,4-tetrafluoro-9-(2,3,4,5,6-pentafluorophenyl)acridine

7-bromo-1,2,3,4-tetrafluoro-9-(2,3,4,5,6-pentafluorophenyl)acridine (PubChem CID 56834787) has the molecular formula C19H3BrF9N and a molecular weight of 496.13 g/mol. Its IUPAC name is 7-bromo-1,2,3,4-tetrafluoro-9-(2,3,4,5,6-pentafluorophenyl)acridine.

Molecular Properties

Compound Name7-bromo-1,2,3,4-tetrafluoro-9-(2,3,4,5,6-pentafluorophenyl)acridine
PubChem CID56834787
Molecular FormulaC19H3BrF9N
Molecular Weight496.13 g/mol
Exact Mass494.93
IUPAC Name7-bromo-1,2,3,4-tetrafluoro-9-(2,3,4,5,6-pentafluorophenyl)acridine
SMILESFc1c(F)c(F)c(-c2c3cc(Br)ccc3nc3c(F)c(F)c(F)c(F)c23)c(F)c1F
InChIInChI=1S/C19H3BrF9N/c20-4-1-2-6-5(3-4)7(8-10(21)13(24)16(27)14(25)11(8)22)9-12(23)15(26)17(28)18(29)19(9)30-6/h1-3H
InChIKeyQUQFISZGUYNOLI-UHFFFAOYSA-N
XLogP7.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.13
LogP ≤ 57.07
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'}

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Related Compounds

2,7-dibromo-10-methyl-9-(2,3,4,5,6-pentafluorophenyl)acridin-10-ium
CID 177117630
12-bromo-14-(4-phenylphenyl)phenanthro[9,10-b]quinoline
CID 141398118
6-bromo-2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazole
CID 91678559
2,7,11-tribromophenanthro[9,10-b]quinoxaline
CID 162716062
6-bromo-1,2,3,4-tetrafluoronaphthalene
CID 59658286
6-bromo-2-chloro-4-methylquinoline;ethane
CID 153393887
6-bromo-2-(3-fluoro-4-methylphenyl)-N-methylquinazolin-4-amine
CID 64981378
6-bromo-2-methyl-3-methylsulfonyl-4-[4-(trifluoromethyl)phenyl]quinoline
CID 12001725
5-bromo-3-fluoro-2H-indazole
CID 66793399
8-bromo-2-(4-bromophenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
CID 71818791
3-[bis(4-fluorophenyl)methyl]-6-bromo-2-methylquinazolin-4-one
CID 58187204
(6-bromo-4-methylquinolin-2-yl)methanamine
CID 83527571

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,2,3,4-tetrafluoro-9-(2,3,4,5,6-pentafluorophenyl)acridine?
The IUPAC name of 7-bromo-1,2,3,4-tetrafluoro-9-(2,3,4,5,6-pentafluorophenyl)acridine (CID 56834787) is 7-bromo-1,2,3,4-tetrafluoro-9-(2,3,4,5,6-pentafluorophenyl)acridine.
What is the SMILES notation for 7-bromo-1,2,3,4-tetrafluoro-9-(2,3,4,5,6-pentafluorophenyl)acridine?
The canonical SMILES for 7-bromo-1,2,3,4-tetrafluoro-9-(2,3,4,5,6-pentafluorophenyl)acridine is Fc1c(F)c(F)c(-c2c3cc(Br)ccc3nc3c(F)c(F)c(F)c(F)c23)c(F)c1F.
What is the InChIKey of 7-bromo-1,2,3,4-tetrafluoro-9-(2,3,4,5,6-pentafluorophenyl)acridine?
The InChIKey is QUQFISZGUYNOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H3BrF9N/c20-4-1-2-6-5(3-4)7(8-10(21)13(24)16(27)14(25)11(8)22)9-12(23)15(26)17(28)18(29)19(9)30-6/h1-3H.
What are the key properties of 7-bromo-1,2,3,4-tetrafluoro-9-(2,3,4,5,6-pentafluorophenyl)acridine?
7-bromo-1,2,3,4-tetrafluoro-9-(2,3,4,5,6-pentafluorophenyl)acridine has a molecular weight of 496.13 g/mol, XLogP of 7.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,2,3,4-tetrafluoro-9-(2,3,4,5,6-pentafluorophenyl)acridine is sourced from PubChem (CID 56834787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).