1-tert-butyl-2,5-diphenyl-4-propan-2-ylbenzene

C25H28 — CID 144806043

IUPAC1-tert-butyl-2,5-diphenyl-4-propan-2-ylbenzene
SMILESCC(C)c1cc(-c2ccccc2)c(C(C)(C)C)cc1-c1ccccc1
InChIInChI=1S/C25H28/c1-18(2)21-16-23(20-14-10-7-11-15-20)24(25(3,4)5)17-22(21)19-12-8-6-9-13-19/h6-18H,1-5H3
InChIKeyKNNCFHZKQCNDEI-UHFFFAOYSA-N
MW328.50 g/mol
LogP7.44
Rot. Bonds3

About 1-tert-butyl-2,5-diphenyl-4-propan-2-ylbenzene

1-tert-butyl-2,5-diphenyl-4-propan-2-ylbenzene (PubChem CID 144806043) has the molecular formula C25H28 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-tert-butyl-2,5-diphenyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-tert-butyl-2,5-diphenyl-4-propan-2-ylbenzene
PubChem CID144806043
Molecular FormulaC25H28
Molecular Weight328.50 g/mol
Exact Mass328.22
IUPAC Name1-tert-butyl-2,5-diphenyl-4-propan-2-ylbenzene
SMILESCC(C)c1cc(-c2ccccc2)c(C(C)(C)C)cc1-c1ccccc1
InChIInChI=1S/C25H28/c1-18(2)21-16-23(20-14-10-7-11-15-20)24(25(3,4)5)17-22(21)19-12-8-6-9-13-19/h6-18H,1-5H3
InChIKeyKNNCFHZKQCNDEI-UHFFFAOYSA-N
XLogP7.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,5-ditert-butyl-4-phenylphenol
CID 14592702
1-tert-butyl-2,4-diphenylbenzene;methane
CID 142588815
2-methyl-4-phenyl-5-propan-2-ylphenol
CID 174789166
2-tert-butyl-1,4-diphenylnaphthalene
CID 10759331
ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506
2-(4-methylphenyl)-4-phenyl-1-propan-2-ylbenzene
CID 163504482
1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 141150554
1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene
CID 141427914
2,3,4-tritert-butyl-6-phenylaniline
CID 175575681
4-methoxy-2-phenyl-1-propan-2-ylbenzene
CID 118344819
3,5-ditert-butyl-2,7-diphenyl-9H-fluorene
CID 157418767
4-tert-butyl-3-phenylbenzonitrile
CID 90264086

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,5-diphenyl-4-propan-2-ylbenzene?
The IUPAC name of 1-tert-butyl-2,5-diphenyl-4-propan-2-ylbenzene (CID 144806043) is 1-tert-butyl-2,5-diphenyl-4-propan-2-ylbenzene.
What is the SMILES notation for 1-tert-butyl-2,5-diphenyl-4-propan-2-ylbenzene?
The canonical SMILES for 1-tert-butyl-2,5-diphenyl-4-propan-2-ylbenzene is CC(C)c1cc(-c2ccccc2)c(C(C)(C)C)cc1-c1ccccc1.
What is the InChIKey of 1-tert-butyl-2,5-diphenyl-4-propan-2-ylbenzene?
The InChIKey is KNNCFHZKQCNDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28/c1-18(2)21-16-23(20-14-10-7-11-15-20)24(25(3,4)5)17-22(21)19-12-8-6-9-13-19/h6-18H,1-5H3.
What are the key properties of 1-tert-butyl-2,5-diphenyl-4-propan-2-ylbenzene?
1-tert-butyl-2,5-diphenyl-4-propan-2-ylbenzene has a molecular weight of 328.50 g/mol, XLogP of 7.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,5-diphenyl-4-propan-2-ylbenzene is sourced from PubChem (CID 144806043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).