1-(2-phenylbutan-2-yl)-4-[4-(2-phenylpropan-2-yl)phenyl]benzene

C31H32 — CID 173279363

IUPAC1-(2-phenylbutan-2-yl)-4-[4-(2-phenylpropan-2-yl)phenyl]benzene
SMILESCCC(C)(c1ccccc1)c1ccc(-c2ccc(C(C)(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C31H32/c1-5-31(4,28-14-10-7-11-15-28)29-22-18-25(19-23-29)24-16-20-27(21-17-24)30(2,3)26-12-8-6-9-13-26/h6-23H,5H2,1-4H3
InChIKeyKGBWWWLJSBXACB-UHFFFAOYSA-N
MW404.60 g/mol
LogP8.40
Rot. Bonds6

About 1-(2-phenylbutan-2-yl)-4-[4-(2-phenylpropan-2-yl)phenyl]benzene

1-(2-phenylbutan-2-yl)-4-[4-(2-phenylpropan-2-yl)phenyl]benzene (PubChem CID 173279363) has the molecular formula C31H32 and a molecular weight of 404.60 g/mol. Its IUPAC name is 1-(2-phenylbutan-2-yl)-4-[4-(2-phenylpropan-2-yl)phenyl]benzene.

Molecular Properties

Compound Name1-(2-phenylbutan-2-yl)-4-[4-(2-phenylpropan-2-yl)phenyl]benzene
PubChem CID173279363
Molecular FormulaC31H32
Molecular Weight404.60 g/mol
Exact Mass404.25
IUPAC Name1-(2-phenylbutan-2-yl)-4-[4-(2-phenylpropan-2-yl)phenyl]benzene
SMILESCCC(C)(c1ccccc1)c1ccc(-c2ccc(C(C)(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C31H32/c1-5-31(4,28-14-10-7-11-15-28)29-22-18-25(19-23-29)24-16-20-27(21-17-24)30(2,3)26-12-8-6-9-13-26/h6-23H,5H2,1-4H3
InChIKeyKGBWWWLJSBXACB-UHFFFAOYSA-N
XLogP8.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.60
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylbutan-2-yl)-4-[4-(2-phenylpropan-2-yl)phenyl]benzene?
The IUPAC name of 1-(2-phenylbutan-2-yl)-4-[4-(2-phenylpropan-2-yl)phenyl]benzene (CID 173279363) is 1-(2-phenylbutan-2-yl)-4-[4-(2-phenylpropan-2-yl)phenyl]benzene.
What is the SMILES notation for 1-(2-phenylbutan-2-yl)-4-[4-(2-phenylpropan-2-yl)phenyl]benzene?
The canonical SMILES for 1-(2-phenylbutan-2-yl)-4-[4-(2-phenylpropan-2-yl)phenyl]benzene is CCC(C)(c1ccccc1)c1ccc(-c2ccc(C(C)(C)c3ccccc3)cc2)cc1.
What is the InChIKey of 1-(2-phenylbutan-2-yl)-4-[4-(2-phenylpropan-2-yl)phenyl]benzene?
The InChIKey is KGBWWWLJSBXACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32/c1-5-31(4,28-14-10-7-11-15-28)29-22-18-25(19-23-29)24-16-20-27(21-17-24)30(2,3)26-12-8-6-9-13-26/h6-23H,5H2,1-4H3.
What are the key properties of 1-(2-phenylbutan-2-yl)-4-[4-(2-phenylpropan-2-yl)phenyl]benzene?
1-(2-phenylbutan-2-yl)-4-[4-(2-phenylpropan-2-yl)phenyl]benzene has a molecular weight of 404.60 g/mol, XLogP of 8.40, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylbutan-2-yl)-4-[4-(2-phenylpropan-2-yl)phenyl]benzene is sourced from PubChem (CID 173279363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).