5-(2,6-dimethylphenyl)-1,3-diphenyl-2-propan-2-ylbenzene

C29H28 — CID 140664576

IUPAC5-(2,6-dimethylphenyl)-1,3-diphenyl-2-propan-2-ylbenzene
SMILESCc1cccc(C)c1-c1cc(-c2ccccc2)c(C(C)C)c(-c2ccccc2)c1
InChIInChI=1S/C29H28/c1-20(2)28-26(23-14-7-5-8-15-23)18-25(29-21(3)12-11-13-22(29)4)19-27(28)24-16-9-6-10-17-24/h5-20H,1-4H3
InChIKeyJPVXWUAEHWUMRD-UHFFFAOYSA-N
MW376.54 g/mol
LogP8.43
Rot. Bonds4

About 5-(2,6-dimethylphenyl)-1,3-diphenyl-2-propan-2-ylbenzene

5-(2,6-dimethylphenyl)-1,3-diphenyl-2-propan-2-ylbenzene (PubChem CID 140664576) has the molecular formula C29H28 and a molecular weight of 376.54 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)-1,3-diphenyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name5-(2,6-dimethylphenyl)-1,3-diphenyl-2-propan-2-ylbenzene
PubChem CID140664576
Molecular FormulaC29H28
Molecular Weight376.54 g/mol
Exact Mass376.22
IUPAC Name5-(2,6-dimethylphenyl)-1,3-diphenyl-2-propan-2-ylbenzene
SMILESCc1cccc(C)c1-c1cc(-c2ccccc2)c(C(C)C)c(-c2ccccc2)c1
InChIInChI=1S/C29H28/c1-20(2)28-26(23-14-7-5-8-15-23)18-25(29-21(3)12-11-13-22(29)4)19-27(28)24-16-9-6-10-17-24/h5-20H,1-4H3
InChIKeyJPVXWUAEHWUMRD-UHFFFAOYSA-N
XLogP8.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethyl-2-(4-methyl-3-phenylphenyl)benzene
CID 168751305
5-methyl-1,3-diphenyl-2-propan-2-ylbenzene
CID 140664566
1-methyl-2,3-diphenylbenzene;sulfane
CID 174862423
azane;1-methyl-2,3-diphenylbenzene
CID 175031313
5-methyl-3-phenyl-2-propan-2-ylphenol
CID 70085358
lithium;hydride;1-methyl-2,3-diphenylbenzene
CID 175388205
1,3,5-triphenyl-2,4,6-tri(propan-2-yl)benzene
CID 175984465
8-methyl-1-phenyl-2-propan-2-ylazulene
CID 141167204
4-(2-methylphenyl)-1,2-diphenylbenzene
CID 59171693
2-(4-methylphenyl)-4-phenyl-1-propan-2-ylbenzene
CID 163504482
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylphenyl)-1,3-diphenyl-2-propan-2-ylbenzene?
The IUPAC name of 5-(2,6-dimethylphenyl)-1,3-diphenyl-2-propan-2-ylbenzene (CID 140664576) is 5-(2,6-dimethylphenyl)-1,3-diphenyl-2-propan-2-ylbenzene.
What is the SMILES notation for 5-(2,6-dimethylphenyl)-1,3-diphenyl-2-propan-2-ylbenzene?
The canonical SMILES for 5-(2,6-dimethylphenyl)-1,3-diphenyl-2-propan-2-ylbenzene is Cc1cccc(C)c1-c1cc(-c2ccccc2)c(C(C)C)c(-c2ccccc2)c1.
What is the InChIKey of 5-(2,6-dimethylphenyl)-1,3-diphenyl-2-propan-2-ylbenzene?
The InChIKey is JPVXWUAEHWUMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28/c1-20(2)28-26(23-14-7-5-8-15-23)18-25(29-21(3)12-11-13-22(29)4)19-27(28)24-16-9-6-10-17-24/h5-20H,1-4H3.
What are the key properties of 5-(2,6-dimethylphenyl)-1,3-diphenyl-2-propan-2-ylbenzene?
5-(2,6-dimethylphenyl)-1,3-diphenyl-2-propan-2-ylbenzene has a molecular weight of 376.54 g/mol, XLogP of 8.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylphenyl)-1,3-diphenyl-2-propan-2-ylbenzene is sourced from PubChem (CID 140664576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).