tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene)

C175H262 — CID 158284409

IUPACtris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene)
SMILESCCC1CCC(c2ccc(C)cc2)CC1.CCC1CCC(c2ccc(C)cc2)CC1.CCC1CCC(c2ccc(C)cc2)CC1.CCC1CCC(c2ccc(C)cc2)CC1.CCCC1CCC(c2ccc(C)cc2)CC1.CCCC1CCC(c2ccc(C)cc2)CC1.CCCC1CCC(c2ccc(C)cc2)CC1.CCCC1CCC(c2ccc(C)cc2)CC1.CCCCC1CCC(c2ccc(C)cc2)CC1.CCCCC1CCC(c2ccc(C)cc2)CC1.CCCCC1CCC(c2ccc(C)cc2)CC1
InChIInChI=1S/3C17H26.4C16H24.4C15H22/c3*1-3-4-5-15-8-12-17(13-9-15)16-10-6-14(2)7-11-16;4*1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15;4*1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14/h3*6-7,10-11,15,17H,3-5,8-9,12-13H2,1-2H3;4*5-6,9-10,14,16H,3-4,7-8,11-12H2,1-2H3;4*4-5,8-9,13,15H,3,6-7,10-11H2,1-2H3
InChIKeyGKPHARMDLOXUNQ-UHFFFAOYSA-N
MW2366.02 g/mol
LogP55.37
Rot. Bonds32

About tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene)

tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene) (PubChem CID 158284409) has the molecular formula C175H262 and a molecular weight of 2366.02 g/mol. Its IUPAC name is tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene).

Molecular Properties

Compound Nametris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene)
PubChem CID158284409
Molecular FormulaC175H262
Molecular Weight2366.02 g/mol
Exact Mass2364.05
IUPAC Nametris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene)
SMILESCCC1CCC(c2ccc(C)cc2)CC1.CCC1CCC(c2ccc(C)cc2)CC1.CCC1CCC(c2ccc(C)cc2)CC1.CCC1CCC(c2ccc(C)cc2)CC1.CCCC1CCC(c2ccc(C)cc2)CC1.CCCC1CCC(c2ccc(C)cc2)CC1.CCCC1CCC(c2ccc(C)cc2)CC1.CCCC1CCC(c2ccc(C)cc2)CC1.CCCCC1CCC(c2ccc(C)cc2)CC1.CCCCC1CCC(c2ccc(C)cc2)CC1.CCCCC1CCC(c2ccc(C)cc2)CC1
InChIInChI=1S/3C17H26.4C16H24.4C15H22/c3*1-3-4-5-15-8-12-17(13-9-15)16-10-6-14(2)7-11-16;4*1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15;4*1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14/h3*6-7,10-11,15,17H,3-5,8-9,12-13H2,1-2H3;4*5-6,9-10,14,16H,3-4,7-8,11-12H2,1-2H3;4*4-5,8-9,13,15H,3,6-7,10-11H2,1-2H3
InChIKeyGKPHARMDLOXUNQ-UHFFFAOYSA-N
XLogP55.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds32
Heavy Atoms175
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002366.02
LogP ≤ 555.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 160680603
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
tris(4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-methylphenyl)benzene);tris(4-[4-(4-ethylcyclohexyl)phenyl]-2-fluoro-1-(4-methylphenyl)benzene);bis(2-fluoro-1-(4-methylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene);tris(2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene)
CID 160613322
1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene
CID 20683446
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;1-methyl-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 158284367
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
1-(4-butylcyclohexyl)-4-phenylbenzene
CID 20638990
1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene
CID 58932728

Frequently Asked Questions

What is the IUPAC name of tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene)?
The IUPAC name of tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene) (CID 158284409) is tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene).
What is the SMILES notation for tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene)?
The canonical SMILES for tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene) is CCC1CCC(c2ccc(C)cc2)CC1.CCC1CCC(c2ccc(C)cc2)CC1.CCC1CCC(c2ccc(C)cc2)CC1.CCC1CCC(c2ccc(C)cc2)CC1.CCCC1CCC(c2ccc(C)cc2)CC1.CCCC1CCC(c2ccc(C)cc2)CC1.CCCC1CCC(c2ccc(C)cc2)CC1.CCCC1CCC(c2ccc(C)cc2)CC1.CCCCC1CCC(c2ccc(C)cc2)CC1.CCCCC1CCC(c2ccc(C)cc2)CC1.CCCCC1CCC(c2ccc(C)cc2)CC1.
What is the InChIKey of tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene)?
The InChIKey is GKPHARMDLOXUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H26.4C16H24.4C15H22/c3*1-3-4-5-15-8-12-17(13-9-15)16-10-6-14(2)7-11-16;4*1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15;4*1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14/h3*6-7,10-11,15,17H,3-5,8-9,12-13H2,1-2H3;4*5-6,9-10,14,16H,3-4,7-8,11-12H2,1-2H3;4*4-5,8-9,13,15H,3,6-7,10-11H2,1-2H3.
What are the key properties of tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene)?
tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene) has a molecular weight of 2366.02 g/mol, XLogP of 55.37, 32 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene) is sourced from PubChem (CID 158284409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).