bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)

C140H224 — CID 157498601

IUPACbis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
SMILESCC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C2CCC(C)CC2)cc1.Cc1ccc(C2CCC(C)CC2)cc1
InChIInChI=1S/6C14H26.2C14H20.2C14H14/c10*1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h6*11-14H,3-10H2,1-2H3;2*3-4,7-8,12,14H,5-6,9-10H2,1-2H3;2*3-10H,1-2H3
InChIKeyBYDCOTKFKNXKJH-UHFFFAOYSA-N
MW1907.33 g/mol
LogP44.35
Rot. Bonds10

About bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)

bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene) (PubChem CID 157498601) has the molecular formula C140H224 and a molecular weight of 1907.33 g/mol. Its IUPAC name is bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene).

Molecular Properties

Compound Namebis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
PubChem CID157498601
Molecular FormulaC140H224
Molecular Weight1907.33 g/mol
Exact Mass1905.75
IUPAC Namebis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
SMILESCC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C2CCC(C)CC2)cc1.Cc1ccc(C2CCC(C)CC2)cc1
InChIInChI=1S/6C14H26.2C14H20.2C14H14/c10*1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h6*11-14H,3-10H2,1-2H3;2*3-4,7-8,12,14H,5-6,9-10H2,1-2H3;2*3-10H,1-2H3
InChIKeyBYDCOTKFKNXKJH-UHFFFAOYSA-N
XLogP44.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001907.33
LogP ≤ 544.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
1-cyclohexyl-4-methylcyclohexane;methane;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium
CID 158696039
2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]aniline
CID 143115116
1-(4-methylcyclohexyl)-4-phenylbenzene
CID 18720904
1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 22886833
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 157263040
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-methylbenzene;bis(1-methyl-4-(4-methylcyclohexyl)benzene);bis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);bis(1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);1-methyl-4-(4-methylphenyl)benzene;molecular hydrogen
CID 160558851
1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999
1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane
CID 91432939
1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;methyl 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 159746470
1-fluoro-2,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 143209910

Frequently Asked Questions

What is the IUPAC name of bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)?
The IUPAC name of bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene) (CID 157498601) is bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene).
What is the SMILES notation for bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)?
The canonical SMILES for bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene) is CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C2CCC(C)CC2)cc1.Cc1ccc(C2CCC(C)CC2)cc1.
What is the InChIKey of bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)?
The InChIKey is BYDCOTKFKNXKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/6C14H26.2C14H20.2C14H14/c10*1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h6*11-14H,3-10H2,1-2H3;2*3-4,7-8,12,14H,5-6,9-10H2,1-2H3;2*3-10H,1-2H3.
What are the key properties of bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)?
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene) has a molecular weight of 1907.33 g/mol, XLogP of 44.35, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene) is sourced from PubChem (CID 157498601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).