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

C32H26 — CID 176589325

IUPAC1,2,4,5-tetrakis(2-deuteriophenyl)-3,6-dimethylbenzene
SMILES[2H]c1ccccc1-c1c(C)c(-c2ccccc2[2H])c(-c2ccccc2[2H])c(C)c1-c1ccccc1[2H]
InChIInChI=1S/C32H26/c1-23-29(25-15-7-3-8-16-25)31(27-19-11-5-12-20-27)24(2)32(28-21-13-6-14-22-28)30(23)26-17-9-4-10-18-26/h3-22H,1-2H3/i15D,17D,19D,21D
InChIKeyDALUSGMSSXODQU-AEQKFDLZSA-N
MW414.58 g/mol
LogP8.97
Rot. Bonds4

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

1,2,4,5-tetrakis(2-deuteriophenyl)-3,6-dimethylbenzene (PubChem CID 176589325) has the molecular formula C32H26 and a molecular weight of 414.58 g/mol. Its IUPAC name is 1,2,4,5-tetrakis(2-deuteriophenyl)-3,6-dimethylbenzene.

Molecular Properties

Compound Name1,2,4,5-tetrakis(2-deuteriophenyl)-3,6-dimethylbenzene
PubChem CID176589325
Molecular FormulaC32H26
Molecular Weight414.58 g/mol
Exact Mass414.23
IUPAC Name1,2,4,5-tetrakis(2-deuteriophenyl)-3,6-dimethylbenzene
SMILES[2H]c1ccccc1-c1c(C)c(-c2ccccc2[2H])c(-c2ccccc2[2H])c(C)c1-c1ccccc1[2H]
InChIInChI=1S/C32H26/c1-23-29(25-15-7-3-8-16-25)31(27-19-11-5-12-20-27)24(2)32(28-21-13-6-14-22-28)30(23)26-17-9-4-10-18-26/h3-22H,1-2H3/i15D,17D,19D,21D
InChIKeyDALUSGMSSXODQU-AEQKFDLZSA-N
XLogP8.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.58
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,4,5-tetrakis(2-deuteriophenyl)-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

1-deuterio-2-(4-deuteriophenyl)benzene
CID 172864519
1,3-dideuterio-2-methyl-5-phenylbenzene
CID 140908815
2-(2-methyl-3,4,5,6-tetraphenylphenyl)pyridine
CID 23597792
ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene
CID 91414507
2-deuterio-1-methyl-4-phenylbenzene
CID 175915490
1,2,5-trimethyl-3,4-diphenylbenzene
CID 19420158
1,4-dimethyl-2,3-diphenylanthracene
CID 44632824
benzene;1,1'-biphenyl;ethane
CID 158550617
4-(2-deuteriophenyl)-N-phenylaniline
CID 171832508
1,2,4,5-tetradeuterio-3-methyl-6-(3-phenylphenyl)benzene
CID 167419837
3-methyl-2,4-diphenylnaphthalen-1-amine
CID 174555006
9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
CID 143856164

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrakis(2-deuteriophenyl)-3,6-dimethylbenzene?
The IUPAC name of 1,2,4,5-tetrakis(2-deuteriophenyl)-3,6-dimethylbenzene (CID 176589325) is 1,2,4,5-tetrakis(2-deuteriophenyl)-3,6-dimethylbenzene.
What is the SMILES notation for 1,2,4,5-tetrakis(2-deuteriophenyl)-3,6-dimethylbenzene?
The canonical SMILES for 1,2,4,5-tetrakis(2-deuteriophenyl)-3,6-dimethylbenzene is [2H]c1ccccc1-c1c(C)c(-c2ccccc2[2H])c(-c2ccccc2[2H])c(C)c1-c1ccccc1[2H].
What is the InChIKey of 1,2,4,5-tetrakis(2-deuteriophenyl)-3,6-dimethylbenzene?
The InChIKey is DALUSGMSSXODQU-AEQKFDLZSA-N. The full InChI is InChI=1S/C32H26/c1-23-29(25-15-7-3-8-16-25)31(27-19-11-5-12-20-27)24(2)32(28-21-13-6-14-22-28)30(23)26-17-9-4-10-18-26/h3-22H,1-2H3/i15D,17D,19D,21D.
What are the key properties of 1,2,4,5-tetrakis(2-deuteriophenyl)-3,6-dimethylbenzene?
1,2,4,5-tetrakis(2-deuteriophenyl)-3,6-dimethylbenzene has a molecular weight of 414.58 g/mol, XLogP of 8.97, 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-deuteriophenyl)-3,6-dimethylbenzene is sourced from PubChem (CID 176589325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).