1,3,5-trimethyl-2-[2-pentyl-6-(2,4,6-trimethylphenyl)phenyl]benzene

C29H36 — CID 173136650

IUPAC1,3,5-trimethyl-2-[2-pentyl-6-(2,4,6-trimethylphenyl)phenyl]benzene
SMILESCCCCCc1cccc(-c2c(C)cc(C)cc2C)c1-c1c(C)cc(C)cc1C
InChIInChI=1S/C29H36/c1-8-9-10-12-25-13-11-14-26(27-21(4)15-19(2)16-22(27)5)29(25)28-23(6)17-20(3)18-24(28)7/h11,13-18H,8-10,12H2,1-7H3
InChIKeyTZZVOJCDKMSBFK-UHFFFAOYSA-N
MW384.61 g/mol
LogP8.60
Rot. Bonds6

About 1,3,5-trimethyl-2-[2-pentyl-6-(2,4,6-trimethylphenyl)phenyl]benzene

1,3,5-trimethyl-2-[2-pentyl-6-(2,4,6-trimethylphenyl)phenyl]benzene (PubChem CID 173136650) has the molecular formula C29H36 and a molecular weight of 384.61 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-[2-pentyl-6-(2,4,6-trimethylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-[2-pentyl-6-(2,4,6-trimethylphenyl)phenyl]benzene
PubChem CID173136650
Molecular FormulaC29H36
Molecular Weight384.61 g/mol
Exact Mass384.28
IUPAC Name1,3,5-trimethyl-2-[2-pentyl-6-(2,4,6-trimethylphenyl)phenyl]benzene
SMILESCCCCCc1cccc(-c2c(C)cc(C)cc2C)c1-c1c(C)cc(C)cc1C
InChIInChI=1S/C29H36/c1-8-9-10-12-25-13-11-14-26(27-21(4)15-19(2)16-22(27)5)29(25)28-23(6)17-20(3)18-24(28)7/h11,13-18H,8-10,12H2,1-7H3
InChIKeyTZZVOJCDKMSBFK-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.61
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-diethylphenyl)-1,3,5-trimethylbenzene
CID 91665787
1-methyl-3-(2-pentylphenyl)benzene
CID 54116278
2-ethyl-6-(2,4,6-trimethylphenyl)phenol
CID 132576602
CID 137158148
CID 137158148
1,2,3-tri(icosyl)benzene
CID 90987509
1-methyl-2-pentylbenzene
CID 524553
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
1-hexyl-2,3-diphenylbenzene
CID 54065322
2-(2-dodecylphenyl)-3-nonylphenol
CID 174697962
2-(2-methyl-6-pentylphenyl)benzonitrile
CID 101053248
1,2-dihexyl-3-methylbenzene
CID 15920121
1-heptyl-2,3,5-trimethylbenzene
CID 90943000

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-[2-pentyl-6-(2,4,6-trimethylphenyl)phenyl]benzene?
The IUPAC name of 1,3,5-trimethyl-2-[2-pentyl-6-(2,4,6-trimethylphenyl)phenyl]benzene (CID 173136650) is 1,3,5-trimethyl-2-[2-pentyl-6-(2,4,6-trimethylphenyl)phenyl]benzene.
What is the SMILES notation for 1,3,5-trimethyl-2-[2-pentyl-6-(2,4,6-trimethylphenyl)phenyl]benzene?
The canonical SMILES for 1,3,5-trimethyl-2-[2-pentyl-6-(2,4,6-trimethylphenyl)phenyl]benzene is CCCCCc1cccc(-c2c(C)cc(C)cc2C)c1-c1c(C)cc(C)cc1C.
What is the InChIKey of 1,3,5-trimethyl-2-[2-pentyl-6-(2,4,6-trimethylphenyl)phenyl]benzene?
The InChIKey is TZZVOJCDKMSBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36/c1-8-9-10-12-25-13-11-14-26(27-21(4)15-19(2)16-22(27)5)29(25)28-23(6)17-20(3)18-24(28)7/h11,13-18H,8-10,12H2,1-7H3.
What are the key properties of 1,3,5-trimethyl-2-[2-pentyl-6-(2,4,6-trimethylphenyl)phenyl]benzene?
1,3,5-trimethyl-2-[2-pentyl-6-(2,4,6-trimethylphenyl)phenyl]benzene has a molecular weight of 384.61 g/mol, XLogP of 8.60, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-[2-pentyl-6-(2,4,6-trimethylphenyl)phenyl]benzene is sourced from PubChem (CID 173136650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).