1-(4-ethylphenyl)-4-[4-(4-ethylphenyl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorobenzene

C28H18F8 — CID 21134485

IUPAC1-(4-ethylphenyl)-4-[4-(4-ethylphenyl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorobenzene
SMILESCCc1ccc(-c2c(F)c(F)c(-c3c(F)c(F)c(-c4ccc(CC)cc4)c(F)c3F)c(F)c2F)cc1
InChIInChI=1S/C28H18F8/c1-3-13-5-9-15(10-6-13)17-21(29)25(33)19(26(34)22(17)30)20-27(35)23(31)18(24(32)28(20)36)16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3
InChIKeyPETHYQIIRUDUCN-UHFFFAOYSA-N
MW506.44 g/mol
LogP8.93
Rot. Bonds5

About 1-(4-ethylphenyl)-4-[4-(4-ethylphenyl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorobenzene

1-(4-ethylphenyl)-4-[4-(4-ethylphenyl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorobenzene (PubChem CID 21134485) has the molecular formula C28H18F8 and a molecular weight of 506.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-[4-(4-ethylphenyl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorobenzene.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-[4-(4-ethylphenyl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorobenzene
PubChem CID21134485
Molecular FormulaC28H18F8
Molecular Weight506.44 g/mol
Exact Mass506.13
IUPAC Name1-(4-ethylphenyl)-4-[4-(4-ethylphenyl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorobenzene
SMILESCCc1ccc(-c2c(F)c(F)c(-c3c(F)c(F)c(-c4ccc(CC)cc4)c(F)c3F)c(F)c2F)cc1
InChIInChI=1S/C28H18F8/c1-3-13-5-9-15(10-6-13)17-21(29)25(33)19(26(34)22(17)30)20-27(35)23(31)18(24(32)28(20)36)16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3
InChIKeyPETHYQIIRUDUCN-UHFFFAOYSA-N
XLogP8.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.44
LogP ≤ 58.93
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-ethyl-4-(4-fluorophenyl)benzene
CID 21432911
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 147217763
4-(4-ethylphenyl)-2,3-difluorophenol
CID 19911018
4,6-dichloro-2-(4-ethylphenyl)-5-fluoropyrimidine
CID 80550252
ethane;1-ethyl-4-methylbenzene;fluoromethane
CID 142146910
1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene
CID 163605506
1,2,4,5-tetrafluoro-3-[4-[2-(4-methylphenyl)ethynyl]phenyl]-6-(4-propylphenyl)benzene
CID 139618170
1,4-diethylbenzene;ethane;methane
CID 166131756
4-(chloromethyl)-2-(4-ethylphenyl)-1-fluorobenzene
CID 82119035
1-ethyl-4-methylbenzene;propane
CID 144580802

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-[4-(4-ethylphenyl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorobenzene?
The IUPAC name of 1-(4-ethylphenyl)-4-[4-(4-ethylphenyl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorobenzene (CID 21134485) is 1-(4-ethylphenyl)-4-[4-(4-ethylphenyl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorobenzene.
What is the SMILES notation for 1-(4-ethylphenyl)-4-[4-(4-ethylphenyl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorobenzene?
The canonical SMILES for 1-(4-ethylphenyl)-4-[4-(4-ethylphenyl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorobenzene is CCc1ccc(-c2c(F)c(F)c(-c3c(F)c(F)c(-c4ccc(CC)cc4)c(F)c3F)c(F)c2F)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-[4-(4-ethylphenyl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorobenzene?
The InChIKey is PETHYQIIRUDUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F8/c1-3-13-5-9-15(10-6-13)17-21(29)25(33)19(26(34)22(17)30)20-27(35)23(31)18(24(32)28(20)36)16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-4-[4-(4-ethylphenyl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorobenzene?
1-(4-ethylphenyl)-4-[4-(4-ethylphenyl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorobenzene has a molecular weight of 506.44 g/mol, XLogP of 8.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-[4-(4-ethylphenyl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorobenzene is sourced from PubChem (CID 21134485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).