2-butan-2-yl-1,4-diphenylbenzene

C22H22 — CID 57314523

IUPAC2-butan-2-yl-1,4-diphenylbenzene
SMILESCCC(C)c1cc(-c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C22H22/c1-3-17(2)22-16-20(18-10-6-4-7-11-18)14-15-21(22)19-12-8-5-9-13-19/h4-17H,3H2,1-2H3
InChIKeyYKDGAFKXSAOAQB-UHFFFAOYSA-N
MW286.42 g/mol
LogP6.53
Rot. Bonds4

About 2-butan-2-yl-1,4-diphenylbenzene

2-butan-2-yl-1,4-diphenylbenzene (PubChem CID 57314523) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-butan-2-yl-1,4-diphenylbenzene.

Molecular Properties

Compound Name2-butan-2-yl-1,4-diphenylbenzene
PubChem CID57314523
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name2-butan-2-yl-1,4-diphenylbenzene
SMILESCCC(C)c1cc(-c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C22H22/c1-3-17(2)22-16-20(18-10-6-4-7-11-18)14-15-21(22)19-12-8-5-9-13-19/h4-17H,3H2,1-2H3
InChIKeyYKDGAFKXSAOAQB-UHFFFAOYSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[4-butan-2-yl-2-(1-phenylethyl)phenyl]phenol
CID 174821921
N-[4-[4-[N-(4-butan-2-ylphenyl)-4-[3-[4-[N-(4-butan-2-ylphenyl)-4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59566466
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
1,2,4-triphenylbenzene
CID 518325
1-butan-2-yl-2-(2-methylphenyl)-4-(3-methylphenyl)benzene
CID 145018366
1-ethyl-2,4-diphenylbenzene
CID 59359551
4-(4-amino-2-butan-2-ylphenyl)-3-butan-2-ylaniline
CID 18450465
2-butan-2-yl-N-[4-[4-(N-(2-butan-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 18977846
2-(4-methylphenyl)-4-phenyl-1-propan-2-ylbenzene
CID 163504482
1,3-di(butan-2-yl)-4-butyl-2,5-diphenylbenzene
CID 123884738
2-(4-butan-2-ylphenyl)-9,9-dioctyl-7-(2-phenylphenyl)fluorene
CID 59816926
N,N-dimethyl-1-(2-methyl-5-phenylphenyl)propan-1-amine
CID 146259344

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1,4-diphenylbenzene?
The IUPAC name of 2-butan-2-yl-1,4-diphenylbenzene (CID 57314523) is 2-butan-2-yl-1,4-diphenylbenzene.
What is the SMILES notation for 2-butan-2-yl-1,4-diphenylbenzene?
The canonical SMILES for 2-butan-2-yl-1,4-diphenylbenzene is CCC(C)c1cc(-c2ccccc2)ccc1-c1ccccc1.
What is the InChIKey of 2-butan-2-yl-1,4-diphenylbenzene?
The InChIKey is YKDGAFKXSAOAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-3-17(2)22-16-20(18-10-6-4-7-11-18)14-15-21(22)19-12-8-5-9-13-19/h4-17H,3H2,1-2H3.
What are the key properties of 2-butan-2-yl-1,4-diphenylbenzene?
2-butan-2-yl-1,4-diphenylbenzene has a molecular weight of 286.42 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1,4-diphenylbenzene is sourced from PubChem (CID 57314523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).