3-[(2-methylpropan-2-yl)oxy]-1,2,4,5-tetraphenylbenzene

C34H30O — CID 126747094

IUPAC3-[(2-methylpropan-2-yl)oxy]-1,2,4,5-tetraphenylbenzene
SMILESCC(C)(C)Oc1c(-c2ccccc2)c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C34H30O/c1-34(2,3)35-33-31(27-20-12-6-13-21-27)29(25-16-8-4-9-17-25)24-30(26-18-10-5-11-19-26)32(33)28-22-14-7-15-23-28/h4-24H,1-3H3
InChIKeyNORJJPUCHZVJFQ-UHFFFAOYSA-N
MW454.61 g/mol
LogP9.53
Rot. Bonds5

About 3-[(2-methylpropan-2-yl)oxy]-1,2,4,5-tetraphenylbenzene

3-[(2-methylpropan-2-yl)oxy]-1,2,4,5-tetraphenylbenzene (PubChem CID 126747094) has the molecular formula C34H30O and a molecular weight of 454.61 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-1,2,4,5-tetraphenylbenzene.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-1,2,4,5-tetraphenylbenzene
PubChem CID126747094
Molecular FormulaC34H30O
Molecular Weight454.61 g/mol
Exact Mass454.23
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-1,2,4,5-tetraphenylbenzene
SMILESCC(C)(C)Oc1c(-c2ccccc2)c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C34H30O/c1-34(2,3)35-33-31(27-20-12-6-13-21-27)29(25-16-8-4-9-17-25)24-30(26-18-10-5-11-19-26)32(33)28-22-14-7-15-23-28/h4-24H,1-3H3
InChIKeyNORJJPUCHZVJFQ-UHFFFAOYSA-N
XLogP9.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-methylpropan-2-yl)oxy]-4-phenylcyclobut-3-ene-1,2-dione
CID 22910857
methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene
CID 161142859
1,2-bis[(2-methylpropan-2-yl)oxy]-4-(2-phenylphenyl)benzene
CID 174752402
2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 19931086
2,4-dimethyl-1,3,5-triphenylbenzene
CID 54408386
6-tert-butyl-1-(2,3,4,5-tetraphenylphenyl)azulene
CID 12023823
2-tert-butyl-1,4-diphenylnaphthalene
CID 10759331
3-[(2-methylpropan-2-yl)oxy]-2-phenylnaphthalen-1-ol
CID 122385950
benzene;1,2,3,4,5,6-hexakis-phenylbenzene;1,3,6,8-tetraphenylpyrene
CID 165101849
1,2,4-triphenyltriphenylene
CID 58820754
6-tert-butyl-3,4-diphenylnaphthalen-1-ol
CID 138969967
methyl (2,3,4,6-tetraphenylphenyl) carbonate
CID 121311415

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1,2,4,5-tetraphenylbenzene?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1,2,4,5-tetraphenylbenzene (CID 126747094) is 3-[(2-methylpropan-2-yl)oxy]-1,2,4,5-tetraphenylbenzene.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-1,2,4,5-tetraphenylbenzene?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-1,2,4,5-tetraphenylbenzene is CC(C)(C)Oc1c(-c2ccccc2)c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-1,2,4,5-tetraphenylbenzene?
The InChIKey is NORJJPUCHZVJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30O/c1-34(2,3)35-33-31(27-20-12-6-13-21-27)29(25-16-8-4-9-17-25)24-30(26-18-10-5-11-19-26)32(33)28-22-14-7-15-23-28/h4-24H,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-1,2,4,5-tetraphenylbenzene?
3-[(2-methylpropan-2-yl)oxy]-1,2,4,5-tetraphenylbenzene has a molecular weight of 454.61 g/mol, XLogP of 9.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-1,2,4,5-tetraphenylbenzene is sourced from PubChem (CID 126747094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).