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

C44H50 — CID 57209426

IUPAC2-(2,6-dimethylphenyl)-1,3,5-trimethyl-4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)phenyl]phenyl]benzene
SMILESCc1cc(C)c(-c2c(C)cc(C)c(-c3c(C)cc(C)c(-c4c(C)cc(C)c(-c5c(C)cccc5C)c4C)c3C)c2C)c(C)c1
InChIInChI=1S/C44H50/c1-23-18-26(4)38(27(5)19-23)40-29(7)21-31(9)42(35(40)13)44-33(11)22-32(10)43(36(44)14)41-30(8)20-28(6)39(34(41)12)37-24(2)16-15-17-25(37)3/h15-22H,1-14H3
InChIKeyBLXPTVNJSGNAOJ-UHFFFAOYSA-N
MW578.88 g/mol
LogP12.67
Rot. Bonds4

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

2-(2,6-dimethylphenyl)-1,3,5-trimethyl-4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)phenyl]phenyl]benzene (PubChem CID 57209426) has the molecular formula C44H50 and a molecular weight of 578.88 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1,3,5-trimethyl-4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)phenyl]phenyl]benzene.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1,3,5-trimethyl-4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)phenyl]phenyl]benzene
PubChem CID57209426
Molecular FormulaC44H50
Molecular Weight578.88 g/mol
Exact Mass578.39
IUPAC Name2-(2,6-dimethylphenyl)-1,3,5-trimethyl-4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)phenyl]phenyl]benzene
SMILESCc1cc(C)c(-c2c(C)cc(C)c(-c3c(C)cc(C)c(-c4c(C)cc(C)c(-c5c(C)cccc5C)c4C)c3C)c2C)c(C)c1
InChIInChI=1S/C44H50/c1-23-18-26(4)38(27(5)19-23)40-29(7)21-31(9)42(35(40)13)44-33(11)22-32(10)43(36(44)14)41-30(8)20-28(6)39(34(41)12)37-24(2)16-15-17-25(37)3/h15-22H,1-14H3
InChIKeyBLXPTVNJSGNAOJ-UHFFFAOYSA-N
XLogP12.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.88
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,4,5-tetrakis(2,6-dimethylphenyl)-3,6-dimethylbenzene
CID 176589323
2-(2,6-dimethylphenyl)-5-methylbenzene-1,3-diol
CID 101299108
2-fluoro-1,3,5-trimethyl-4-(2,4,6-trimethylphenyl)benzene
CID 91665757
1-chloro-2-(2-chloro-6-methylphenyl)-3,5-dimethylbenzene
CID 66252969
2-(2,6-diethylphenyl)-1,3,5-trimethylbenzene
CID 91665787
9,20-bis(2,4,6-trimethylphenyl)octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene
CID 71816692
1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene
CID 158486906
2,6-dimethylphenol;2,3,5-trimethylphenol
CID 69435633
2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)benzaldehyde
CID 14915375
2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate
CID 132518583
CID 137158148
CID 137158148
CID 134905872
CID 134905872

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1,3,5-trimethyl-4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)phenyl]phenyl]benzene?
The IUPAC name of 2-(2,6-dimethylphenyl)-1,3,5-trimethyl-4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)phenyl]phenyl]benzene (CID 57209426) is 2-(2,6-dimethylphenyl)-1,3,5-trimethyl-4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)phenyl]phenyl]benzene.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1,3,5-trimethyl-4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)phenyl]phenyl]benzene?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1,3,5-trimethyl-4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)phenyl]phenyl]benzene is Cc1cc(C)c(-c2c(C)cc(C)c(-c3c(C)cc(C)c(-c4c(C)cc(C)c(-c5c(C)cccc5C)c4C)c3C)c2C)c(C)c1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1,3,5-trimethyl-4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)phenyl]phenyl]benzene?
The InChIKey is BLXPTVNJSGNAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H50/c1-23-18-26(4)38(27(5)19-23)40-29(7)21-31(9)42(35(40)13)44-33(11)22-32(10)43(36(44)14)41-30(8)20-28(6)39(34(41)12)37-24(2)16-15-17-25(37)3/h15-22H,1-14H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1,3,5-trimethyl-4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)phenyl]phenyl]benzene?
2-(2,6-dimethylphenyl)-1,3,5-trimethyl-4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)phenyl]phenyl]benzene has a molecular weight of 578.88 g/mol, XLogP of 12.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1,3,5-trimethyl-4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)phenyl]phenyl]benzene is sourced from PubChem (CID 57209426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).