ethane;fluoromethane;4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene;tetrakis(4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene);tris(1,1,1-trifluoroethane)

C278H240F34 — CID 157192257

IUPACethane;fluoromethane;4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene;tetrakis(4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene);tris(1,1,1-trifluoroethane)
SMILESCC.CC.CC.CC.CC.CC.CC.CC(F)(F)F.CC(F)(F)F.CC(F)(F)F.CF.CF.CF.CF.Cc1cc(-c2ccc(-c3c(-c4ccccc4)cc(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F.Cc1cc(-c2ccc(-c3c(-c4ccccc4)cc(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F.Cc1cc(-c2ccc(-c3c(-c4ccccc4)cc(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F.Cc1cc(-c2ccc(-c3c(-c4ccccc4)cc(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F.Cc1cc(-c2ccc(-c3c(-c4ccccc4)cc(-c4ccc(-c5ccc(F)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F
InChIInChI=1S/4C51H36F4.C50H33F5.3C2H3F3.7C2H6.4CH3F/c4*1-33-18-19-43(31-46(33)51(53,54)55)36-20-24-38(25-21-36)45-32-44(37-12-6-3-7-13-37)49(41-26-22-35(23-27-41)42-28-29-47(52)34(2)30-42)50(40-16-10-5-11-17-40)48(45)39-14-8-4-9-15-39;1-32-29-40(25-27-45(32)51)33-19-23-39(24-20-33)48-42(35-11-5-2-6-12-35)31-43(47(37-13-7-3-8-14-37)49(48)38-15-9-4-10-16-38)36-21-17-34(18-22-36)41-26-28-46(52)44(30-41)50(53,54)55;3*1-2(3,4)5;11*1-2/h4*3-32H,1-2H3;2-31H,1H3;3*1H3;7*1-2H3;4*1H3
InChIKeyAPVJGCRRYCRRDM-UHFFFAOYSA-N
MW4226.91 g/mol
LogP89.71
Rot. Bonds35

About ethane;fluoromethane;4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene;tetrakis(4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene);tris(1,1,1-trifluoroethane)

ethane;fluoromethane;4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene;tetrakis(4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene);tris(1,1,1-trifluoroethane) (PubChem CID 157192257) has the molecular formula C278H240F34 and a molecular weight of 4226.91 g/mol. Its IUPAC name is ethane;fluoromethane;4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene;tetrakis(4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene);tris(1,1,1-trifluoroethane).

Molecular Properties

Compound Nameethane;fluoromethane;4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene;tetrakis(4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene);tris(1,1,1-trifluoroethane)
PubChem CID157192257
Molecular FormulaC278H240F34
Molecular Weight4226.91 g/mol
Exact Mass4223.82
IUPAC Nameethane;fluoromethane;4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene;tetrakis(4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene);tris(1,1,1-trifluoroethane)
SMILESCC.CC.CC.CC.CC.CC.CC.CC(F)(F)F.CC(F)(F)F.CC(F)(F)F.CF.CF.CF.CF.Cc1cc(-c2ccc(-c3c(-c4ccccc4)cc(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F.Cc1cc(-c2ccc(-c3c(-c4ccccc4)cc(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F.Cc1cc(-c2ccc(-c3c(-c4ccccc4)cc(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F.Cc1cc(-c2ccc(-c3c(-c4ccccc4)cc(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F.Cc1cc(-c2ccc(-c3c(-c4ccccc4)cc(-c4ccc(-c5ccc(F)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F
InChIInChI=1S/4C51H36F4.C50H33F5.3C2H3F3.7C2H6.4CH3F/c4*1-33-18-19-43(31-46(33)51(53,54)55)36-20-24-38(25-21-36)45-32-44(37-12-6-3-7-13-37)49(41-26-22-35(23-27-41)42-28-29-47(52)34(2)30-42)50(40-16-10-5-11-17-40)48(45)39-14-8-4-9-15-39;1-32-29-40(25-27-45(32)51)33-19-23-39(24-20-33)48-42(35-11-5-2-6-12-35)31-43(47(37-13-7-3-8-14-37)49(48)38-15-9-4-10-16-38)36-21-17-34(18-22-36)41-26-28-46(52)44(30-41)50(53,54)55;3*1-2(3,4)5;11*1-2/h4*3-32H,1-2H3;2-31H,1H3;3*1H3;7*1-2H3;4*1H3
InChIKeyAPVJGCRRYCRRDM-UHFFFAOYSA-N
XLogP89.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds35
Heavy Atoms312
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004226.91
LogP ≤ 589.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;fluoromethane;4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene;tetrakis(4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene);tris(1,1,1-trifluoroethane) with MolForge

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Related Compounds

ethane;fluoromethane;pentakis(1-[4-(4-fluoro-3-methylphenyl)phenyl]-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5,6-tetraphenylbenzene);bis(1,1,1-trifluoroethane)
CID 160858375
9,10-bis[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]anthracene
CID 129213075
1-methyl-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 87917003
1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 145326539
4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 45156540
ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene
CID 169205433
9-(3,4-dimethylphenyl)-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene
CID 129212253
4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 125457222
9-(3,4-dimethylphenyl)-2,3-dimethyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene
CID 129212252
5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-1H-pyridin-2-one
CID 107290813
2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
CID 107289637
5-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]anilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168537462

Frequently Asked Questions

What is the IUPAC name of ethane;fluoromethane;4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene;tetrakis(4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene);tris(1,1,1-trifluoroethane)?
The IUPAC name of ethane;fluoromethane;4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene;tetrakis(4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene);tris(1,1,1-trifluoroethane) (CID 157192257) is ethane;fluoromethane;4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene;tetrakis(4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene);tris(1,1,1-trifluoroethane).
What is the SMILES notation for ethane;fluoromethane;4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene;tetrakis(4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene);tris(1,1,1-trifluoroethane)?
The canonical SMILES for ethane;fluoromethane;4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene;tetrakis(4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene);tris(1,1,1-trifluoroethane) is CC.CC.CC.CC.CC.CC.CC.CC(F)(F)F.CC(F)(F)F.CC(F)(F)F.CF.CF.CF.CF.Cc1cc(-c2ccc(-c3c(-c4ccccc4)cc(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F.Cc1cc(-c2ccc(-c3c(-c4ccccc4)cc(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F.Cc1cc(-c2ccc(-c3c(-c4ccccc4)cc(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F.Cc1cc(-c2ccc(-c3c(-c4ccccc4)cc(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F.Cc1cc(-c2ccc(-c3c(-c4ccccc4)cc(-c4ccc(-c5ccc(F)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F.
What is the InChIKey of ethane;fluoromethane;4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene;tetrakis(4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene);tris(1,1,1-trifluoroethane)?
The InChIKey is APVJGCRRYCRRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C51H36F4.C50H33F5.3C2H3F3.7C2H6.4CH3F/c4*1-33-18-19-43(31-46(33)51(53,54)55)36-20-24-38(25-21-36)45-32-44(37-12-6-3-7-13-37)49(41-26-22-35(23-27-41)42-28-29-47(52)34(2)30-42)50(40-16-10-5-11-17-40)48(45)39-14-8-4-9-15-39;1-32-29-40(25-27-45(32)51)33-19-23-39(24-20-33)48-42(35-11-5-2-6-12-35)31-43(47(37-13-7-3-8-14-37)49(48)38-15-9-4-10-16-38)36-21-17-34(18-22-36)41-26-28-46(52)44(30-41)50(53,54)55;3*1-2(3,4)5;11*1-2/h4*3-32H,1-2H3;2-31H,1H3;3*1H3;7*1-2H3;4*1H3.
What are the key properties of ethane;fluoromethane;4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene;tetrakis(4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene);tris(1,1,1-trifluoroethane)?
ethane;fluoromethane;4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene;tetrakis(4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene);tris(1,1,1-trifluoroethane) has a molecular weight of 4226.91 g/mol, XLogP of 89.71, 35 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;fluoromethane;4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene;tetrakis(4-[4-(4-fluoro-3-methylphenyl)phenyl]-1-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5-triphenylbenzene);tris(1,1,1-trifluoroethane) is sourced from PubChem (CID 157192257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).