1,5-dichloro-3-fluoro-2-phenyl-6-(2,4,5-trichlorophenyl)-4-(2,4,6-trichlorophenyl)benzene

C24H9Cl8F — CID 141060297

IUPAC1,5-dichloro-3-fluoro-2-phenyl-6-(2,4,5-trichlorophenyl)-4-(2,4,6-trichlorophenyl)benzene
SMILESFc1c(-c2ccccc2)c(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C24H9Cl8F/c25-11-6-16(29)20(17(30)7-11)21-23(32)19(12-8-14(27)15(28)9-13(12)26)22(31)18(24(21)33)10-4-2-1-3-5-10/h1-9H
InChIKeyCVYREVKETKLBCV-UHFFFAOYSA-N
MW599.96 g/mol
LogP12.05
Rot. Bonds3

About 1,5-dichloro-3-fluoro-2-phenyl-6-(2,4,5-trichlorophenyl)-4-(2,4,6-trichlorophenyl)benzene

1,5-dichloro-3-fluoro-2-phenyl-6-(2,4,5-trichlorophenyl)-4-(2,4,6-trichlorophenyl)benzene (PubChem CID 141060297) has the molecular formula C24H9Cl8F and a molecular weight of 599.96 g/mol. Its IUPAC name is 1,5-dichloro-3-fluoro-2-phenyl-6-(2,4,5-trichlorophenyl)-4-(2,4,6-trichlorophenyl)benzene.

Molecular Properties

Compound Name1,5-dichloro-3-fluoro-2-phenyl-6-(2,4,5-trichlorophenyl)-4-(2,4,6-trichlorophenyl)benzene
PubChem CID141060297
Molecular FormulaC24H9Cl8F
Molecular Weight599.96 g/mol
Exact Mass595.82
IUPAC Name1,5-dichloro-3-fluoro-2-phenyl-6-(2,4,5-trichlorophenyl)-4-(2,4,6-trichlorophenyl)benzene
SMILESFc1c(-c2ccccc2)c(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C24H9Cl8F/c25-11-6-16(29)20(17(30)7-11)21-23(32)19(12-8-14(27)15(28)9-13(12)26)22(31)18(24(21)33)10-4-2-1-3-5-10/h1-9H
InChIKeyCVYREVKETKLBCV-UHFFFAOYSA-N
XLogP12.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.96
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trichloro-5-fluoro-4,6-diphenylbenzene
CID 175475336
1,2,4-trichloro-5-phenylbenzene
CID 27514
sulfane;bis(1,2,4-trichloro-5-phenylbenzene)
CID 173160003
1,2,4-trichloro-5-(4-phenylphenyl)benzene
CID 90106451
1,3,5-trichloro-2-[2-[4,5-diphenyl-2-(2,4,6-trichlorophenyl)phenyl]-4,5-diphenylphenyl]benzene
CID 157232417
1,1'-biphenyl;3-chloro-2-phenylbicyclo[3.1.0]hexa-1,3,5-triene
CID 68955843
1,2,4,5-tetrachloro-3-(2,3,4,6-tetrachlorophenyl)-6-(2,4,5-trichlorophenyl)benzene
CID 25472
2,3,5,6-tetrachloro-4-(3,4,6-trichloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-ol
CID 71749066
2,4-dichloro-1-phenylbenzene;methane;dihydrochloride
CID 175257985
5-bromo-1,3-dichloro-2-phenylbenzene
CID 54302815
3-chloro-1-fluoro-4-methyl-2-phenylbenzene
CID 166546525
6-chloro-2,3-diphenylphenol
CID 174572078

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-3-fluoro-2-phenyl-6-(2,4,5-trichlorophenyl)-4-(2,4,6-trichlorophenyl)benzene?
The IUPAC name of 1,5-dichloro-3-fluoro-2-phenyl-6-(2,4,5-trichlorophenyl)-4-(2,4,6-trichlorophenyl)benzene (CID 141060297) is 1,5-dichloro-3-fluoro-2-phenyl-6-(2,4,5-trichlorophenyl)-4-(2,4,6-trichlorophenyl)benzene.
What is the SMILES notation for 1,5-dichloro-3-fluoro-2-phenyl-6-(2,4,5-trichlorophenyl)-4-(2,4,6-trichlorophenyl)benzene?
The canonical SMILES for 1,5-dichloro-3-fluoro-2-phenyl-6-(2,4,5-trichlorophenyl)-4-(2,4,6-trichlorophenyl)benzene is Fc1c(-c2ccccc2)c(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 1,5-dichloro-3-fluoro-2-phenyl-6-(2,4,5-trichlorophenyl)-4-(2,4,6-trichlorophenyl)benzene?
The InChIKey is CVYREVKETKLBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H9Cl8F/c25-11-6-16(29)20(17(30)7-11)21-23(32)19(12-8-14(27)15(28)9-13(12)26)22(31)18(24(21)33)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 1,5-dichloro-3-fluoro-2-phenyl-6-(2,4,5-trichlorophenyl)-4-(2,4,6-trichlorophenyl)benzene?
1,5-dichloro-3-fluoro-2-phenyl-6-(2,4,5-trichlorophenyl)-4-(2,4,6-trichlorophenyl)benzene has a molecular weight of 599.96 g/mol, XLogP of 12.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-3-fluoro-2-phenyl-6-(2,4,5-trichlorophenyl)-4-(2,4,6-trichlorophenyl)benzene is sourced from PubChem (CID 141060297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).