1,2,4,5-tetrakis(2,6-dimethylphenyl)-3,6-dimethylbenzene

C40H42 — CID 176589323

IUPAC1,2,4,5-tetrakis(2,6-dimethylphenyl)-3,6-dimethylbenzene
SMILESCc1cccc(C)c1-c1c(C)c(-c2c(C)cccc2C)c(-c2c(C)cccc2C)c(C)c1-c1c(C)cccc1C
InChIInChI=1S/C40H42/c1-23-15-11-16-24(2)33(23)37-31(9)39(35-27(5)19-13-20-28(35)6)40(36-29(7)21-14-22-30(36)8)32(10)38(37)34-25(3)17-12-18-26(34)4/h11-22H,1-10H3
InChIKeyNRVPNOZGSCDLHE-UHFFFAOYSA-N
MW522.78 g/mol
LogP11.44
Rot. Bonds4

About 1,2,4,5-tetrakis(2,6-dimethylphenyl)-3,6-dimethylbenzene

1,2,4,5-tetrakis(2,6-dimethylphenyl)-3,6-dimethylbenzene (PubChem CID 176589323) has the molecular formula C40H42 and a molecular weight of 522.78 g/mol. Its IUPAC name is 1,2,4,5-tetrakis(2,6-dimethylphenyl)-3,6-dimethylbenzene.

Molecular Properties

Compound Name1,2,4,5-tetrakis(2,6-dimethylphenyl)-3,6-dimethylbenzene
PubChem CID176589323
Molecular FormulaC40H42
Molecular Weight522.78 g/mol
Exact Mass522.33
IUPAC Name1,2,4,5-tetrakis(2,6-dimethylphenyl)-3,6-dimethylbenzene
SMILESCc1cccc(C)c1-c1c(C)c(-c2c(C)cccc2C)c(-c2c(C)cccc2C)c(C)c1-c1c(C)cccc1C
InChIInChI=1S/C40H42/c1-23-15-11-16-24(2)33(23)37-31(9)39(35-27(5)19-13-20-28(35)6)40(36-29(7)21-14-22-30(36)8)32(10)38(37)34-25(3)17-12-18-26(34)4/h11-22H,1-10H3
InChIKeyNRVPNOZGSCDLHE-UHFFFAOYSA-N
XLogP11.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.78
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,4,5-tetrakis(2,6-dimethylphenyl)-3,6-dimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;2-(2-hydroxy-6-methylphenyl)-3-methylphenol
CID 159777739
4,5-dimethyl-9H-fluorene
CID 14389533
ethane;1,2,3-trimethylbenzene
CID 54068667
benzene;1,2,3-trimethylbenzene
CID 159605245
4,5,9-trimethyl-9H-fluorene
CID 20673052
2-(2-hydroxy-6-methylphenyl)-3-methylphenol
CID 10198261
2-(2,6-dimethylphenyl)-6-methylphenol
CID 101298816
potassium;1,2,3-trimethylbenzene;chloride
CID 174813799
1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene
CID 14113190
1,3-bis(2,6-dimethylphenyl)-2-isocyanobenzene
CID 86174859
2-(2,6-dimethylphenyl)thiophene
CID 58838883

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrakis(2,6-dimethylphenyl)-3,6-dimethylbenzene?
The IUPAC name of 1,2,4,5-tetrakis(2,6-dimethylphenyl)-3,6-dimethylbenzene (CID 176589323) is 1,2,4,5-tetrakis(2,6-dimethylphenyl)-3,6-dimethylbenzene.
What is the SMILES notation for 1,2,4,5-tetrakis(2,6-dimethylphenyl)-3,6-dimethylbenzene?
The canonical SMILES for 1,2,4,5-tetrakis(2,6-dimethylphenyl)-3,6-dimethylbenzene is Cc1cccc(C)c1-c1c(C)c(-c2c(C)cccc2C)c(-c2c(C)cccc2C)c(C)c1-c1c(C)cccc1C.
What is the InChIKey of 1,2,4,5-tetrakis(2,6-dimethylphenyl)-3,6-dimethylbenzene?
The InChIKey is NRVPNOZGSCDLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H42/c1-23-15-11-16-24(2)33(23)37-31(9)39(35-27(5)19-13-20-28(35)6)40(36-29(7)21-14-22-30(36)8)32(10)38(37)34-25(3)17-12-18-26(34)4/h11-22H,1-10H3.
What are the key properties of 1,2,4,5-tetrakis(2,6-dimethylphenyl)-3,6-dimethylbenzene?
1,2,4,5-tetrakis(2,6-dimethylphenyl)-3,6-dimethylbenzene has a molecular weight of 522.78 g/mol, XLogP of 11.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrakis(2,6-dimethylphenyl)-3,6-dimethylbenzene is sourced from PubChem (CID 176589323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).