1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene

C29H36 — CID 159034335

IUPAC1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene
SMILESCCc1cc(C)cc(Cc2cc(CC)cc(Cc3cc(CC)cc(CC)c3)c2)c1
InChIInChI=1S/C29H36/c1-6-22-10-21(5)11-26(13-22)18-28-16-25(9-4)17-29(20-28)19-27-14-23(7-2)12-24(8-3)15-27/h10-17,20H,6-9,18-19H2,1-5H3
InChIKeyJFWNBFIZWLEWII-UHFFFAOYSA-N
MW384.61 g/mol
LogP7.43
Rot. Bonds8

About 1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene

1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene (PubChem CID 159034335) has the molecular formula C29H36 and a molecular weight of 384.61 g/mol. Its IUPAC name is 1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene
PubChem CID159034335
Molecular FormulaC29H36
Molecular Weight384.61 g/mol
Exact Mass384.28
IUPAC Name1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene
SMILESCCc1cc(C)cc(Cc2cc(CC)cc(Cc3cc(CC)cc(CC)c3)c2)c1
InChIInChI=1S/C29H36/c1-6-22-10-21(5)11-26(13-22)18-28-16-25(9-4)17-29(20-28)19-27-14-23(7-2)12-24(8-3)15-27/h10-17,20H,6-9,18-19H2,1-5H3
InChIKeyJFWNBFIZWLEWII-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.61
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-[(3,5-dimethylphenyl)methyl]-1,3-diethyl-2-methylbenzene
CID 145013287
(3-ethyl-5-methylphenyl)phosphane
CID 89379399
1-ethyl-3-methyl-5-pentylbenzene
CID 142401293
1-bromo-3-ethyl-5-methylbenzene;ethane
CID 142064327
bis(1-ethyl-3,5-dimethylbenzene);naphthalene
CID 165102980
lithium;hydride;1,3,5-triethylbenzene
CID 174873379
bis(3-ethyl-5-methylphenyl)methanamine
CID 141070007
3-ethyl-5-[(3-methylphenyl)methyl]benzamide
CID 175279696
carbanide;2-[[5-[[5-[[5-[[3-[(5-ethyl-2-hydroxy-3-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-4,6-dimethylphenol;bis(titanium(2+))
CID 59071786
1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
CID 23525828
1-ethyl-3,5-dimethylbenzene;2-ethyl-1,4-dimethylbenzene
CID 160945990
1-[[3-[[3,5-bis[(3,5-dimethylphenyl)methoxy]phenyl]methoxy]-5-ethylphenoxy]methyl]-3,5-bis[(3,5-dimethylphenyl)methoxy]benzene
CID 59710807

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene?
The IUPAC name of 1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene (CID 159034335) is 1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene.
What is the SMILES notation for 1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene?
The canonical SMILES for 1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene is CCc1cc(C)cc(Cc2cc(CC)cc(Cc3cc(CC)cc(CC)c3)c2)c1.
What is the InChIKey of 1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene?
The InChIKey is JFWNBFIZWLEWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36/c1-6-22-10-21(5)11-26(13-22)18-28-16-25(9-4)17-29(20-28)19-27-14-23(7-2)12-24(8-3)15-27/h10-17,20H,6-9,18-19H2,1-5H3.
What are the key properties of 1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene?
1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene has a molecular weight of 384.61 g/mol, XLogP of 7.43, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene is sourced from PubChem (CID 159034335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).