1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene

C35H34 — CID 159042556

IUPAC1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene
SMILESc1ccc(CC(Cc2ccccc2)c2ccccc2)cc1.c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C21H20.C14H14/c1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-15,21H,16-17H2;1-10H,11-12H2
InChIKeyJWGDJRKRALLXRN-UHFFFAOYSA-N
MW454.66 g/mol
LogP8.73
Rot. Bonds8

About 1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene

1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene (PubChem CID 159042556) has the molecular formula C35H34 and a molecular weight of 454.66 g/mol. Its IUPAC name is 1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene.

Molecular Properties

Compound Name1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene
PubChem CID159042556
Molecular FormulaC35H34
Molecular Weight454.66 g/mol
Exact Mass454.27
IUPAC Name1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene
SMILESc1ccc(CC(Cc2ccccc2)c2ccccc2)cc1.c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C21H20.C14H14/c1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-15,21H,16-17H2;1-10H,11-12H2
InChIKeyJWGDJRKRALLXRN-UHFFFAOYSA-N
XLogP8.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.66
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
4-[3-(4-aminophenyl)-2-phenylpropyl]aniline
CID 175589044
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CID 18982764
3,4-diphenylbutanenitrile
CID 57019380
4-(1,3-diphenylpropan-2-yl)-1-methylpyridin-1-ium
CID 23252346
hafnium;2-phenylethylbenzene
CID 173109801
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
(2R)-2,4-diphenylbutan-1-amine
CID 10998696
4-(2,3-diphenylpropyl)phthalic acid
CID 174539702
5-(2,3-diphenylpropyl)-1H-imidazole
CID 10491736
1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene
CID 91287342
1-phenyltridecan-2-ylbenzene
CID 22919631

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene?
The IUPAC name of 1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene (CID 159042556) is 1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene.
What is the SMILES notation for 1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene?
The canonical SMILES for 1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene is c1ccc(CC(Cc2ccccc2)c2ccccc2)cc1.c1ccc(CCc2ccccc2)cc1.
What is the InChIKey of 1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene?
The InChIKey is JWGDJRKRALLXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20.C14H14/c1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-15,21H,16-17H2;1-10H,11-12H2.
What are the key properties of 1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene?
1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene has a molecular weight of 454.66 g/mol, XLogP of 8.73, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene is sourced from PubChem (CID 159042556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).