1,2,3,4,5-pentakis[2-(3,5-dimethylphenyl)ethyl]benzene

C56H66 — CID 123805979

IUPAC1,2,3,4,5-pentakis[2-(3,5-dimethylphenyl)ethyl]benzene
SMILESCc1cc(C)cc(CCc2cc(CCc3cc(C)cc(C)c3)c(CCc3cc(C)cc(C)c3)c(CCc3cc(C)cc(C)c3)c2CCc2cc(C)cc(C)c2)c1
InChIInChI=1S/C56H66/c1-37-21-38(2)27-47(26-37)11-16-52-36-53(17-12-48-28-39(3)22-40(4)29-48)55(19-14-50-32-43(7)24-44(8)33-50)56(20-15-51-34-45(9)25-46(10)35-51)54(52)18-13-49-30-41(5)23-42(6)31-49/h21-36H,11-20H2,1-10H3
InChIKeyYRYHQXCOLFFUTN-UHFFFAOYSA-N
MW739.14 g/mol
LogP13.70
Rot. Bonds15

About 1,2,3,4,5-pentakis[2-(3,5-dimethylphenyl)ethyl]benzene

1,2,3,4,5-pentakis[2-(3,5-dimethylphenyl)ethyl]benzene (PubChem CID 123805979) has the molecular formula C56H66 and a molecular weight of 739.14 g/mol. Its IUPAC name is 1,2,3,4,5-pentakis[2-(3,5-dimethylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentakis[2-(3,5-dimethylphenyl)ethyl]benzene
PubChem CID123805979
Molecular FormulaC56H66
Molecular Weight739.14 g/mol
Exact Mass738.52
IUPAC Name1,2,3,4,5-pentakis[2-(3,5-dimethylphenyl)ethyl]benzene
SMILESCc1cc(C)cc(CCc2cc(CCc3cc(C)cc(C)c3)c(CCc3cc(C)cc(C)c3)c(CCc3cc(C)cc(C)c3)c2CCc2cc(C)cc(C)c2)c1
InChIInChI=1S/C56H66/c1-37-21-38(2)27-47(26-37)11-16-52-36-53(17-12-48-28-39(3)22-40(4)29-48)55(19-14-50-32-43(7)24-44(8)33-50)56(20-15-51-34-45(9)25-46(10)35-51)54(52)18-13-49-30-41(5)23-42(6)31-49/h21-36H,11-20H2,1-10H3
InChIKeyYRYHQXCOLFFUTN-UHFFFAOYSA-N
XLogP13.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.14
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene
CID 173107098
1-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene
CID 22920116
3-(3,5-dimethylphenyl)propanenitrile;ethane
CID 143620774
2,4-dimethyl-1-[2-(3-methylphenyl)ethyl]benzene
CID 165145096
1-(2-methoxyethyl)-3,5-dimethylbenzene
CID 145478416
2-(3,5-dimethylphenyl)ethylhydrazine
CID 53402680
2-(3,5-dimethylphenyl)ethyl-difluorosilane
CID 123598242
1,3-dimethyl-5-[(Z)-pent-3-enyl]benzene
CID 83922405
3-(3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 54776136
1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene
CID 101311557
1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene
CID 101311555
chloro-[3-(3,5-dimethylphenyl)propoxy]phosphane
CID 168765246

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentakis[2-(3,5-dimethylphenyl)ethyl]benzene?
The IUPAC name of 1,2,3,4,5-pentakis[2-(3,5-dimethylphenyl)ethyl]benzene (CID 123805979) is 1,2,3,4,5-pentakis[2-(3,5-dimethylphenyl)ethyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentakis[2-(3,5-dimethylphenyl)ethyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentakis[2-(3,5-dimethylphenyl)ethyl]benzene is Cc1cc(C)cc(CCc2cc(CCc3cc(C)cc(C)c3)c(CCc3cc(C)cc(C)c3)c(CCc3cc(C)cc(C)c3)c2CCc2cc(C)cc(C)c2)c1.
What is the InChIKey of 1,2,3,4,5-pentakis[2-(3,5-dimethylphenyl)ethyl]benzene?
The InChIKey is YRYHQXCOLFFUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H66/c1-37-21-38(2)27-47(26-37)11-16-52-36-53(17-12-48-28-39(3)22-40(4)29-48)55(19-14-50-32-43(7)24-44(8)33-50)56(20-15-51-34-45(9)25-46(10)35-51)54(52)18-13-49-30-41(5)23-42(6)31-49/h21-36H,11-20H2,1-10H3.
What are the key properties of 1,2,3,4,5-pentakis[2-(3,5-dimethylphenyl)ethyl]benzene?
1,2,3,4,5-pentakis[2-(3,5-dimethylphenyl)ethyl]benzene has a molecular weight of 739.14 g/mol, XLogP of 13.70, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentakis[2-(3,5-dimethylphenyl)ethyl]benzene is sourced from PubChem (CID 123805979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).