pentan-3-one;1,2,3-triphenylbenzene

C29H28O — CID 174581900

IUPACpentan-3-one;1,2,3-triphenylbenzene
SMILESCCC(=O)CC.c1ccc(-c2cccc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C24H18.C5H10O/c1-4-11-19(12-5-1)22-17-10-18-23(20-13-6-2-7-14-20)24(22)21-15-8-3-9-16-21;1-3-5(6)4-2/h1-18H;3-4H2,1-2H3
InChIKeyXPIVEASAWIKNLK-UHFFFAOYSA-N
MW392.54 g/mol
LogP8.06
Rot. Bonds5

About pentan-3-one;1,2,3-triphenylbenzene

pentan-3-one;1,2,3-triphenylbenzene (PubChem CID 174581900) has the molecular formula C29H28O and a molecular weight of 392.54 g/mol. Its IUPAC name is pentan-3-one;1,2,3-triphenylbenzene.

Molecular Properties

Compound Namepentan-3-one;1,2,3-triphenylbenzene
PubChem CID174581900
Molecular FormulaC29H28O
Molecular Weight392.54 g/mol
Exact Mass392.21
IUPAC Namepentan-3-one;1,2,3-triphenylbenzene
SMILESCCC(=O)CC.c1ccc(-c2cccc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C24H18.C5H10O/c1-4-11-19(12-5-1)22-17-10-18-23(20-13-6-2-7-14-20)24(22)21-15-8-3-9-16-21;1-3-5(6)4-2/h1-18H;3-4H2,1-2H3
InChIKeyXPIVEASAWIKNLK-UHFFFAOYSA-N
XLogP8.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of pentan-3-one;1,2,3-triphenylbenzene?
The IUPAC name of pentan-3-one;1,2,3-triphenylbenzene (CID 174581900) is pentan-3-one;1,2,3-triphenylbenzene.
What is the SMILES notation for pentan-3-one;1,2,3-triphenylbenzene?
The canonical SMILES for pentan-3-one;1,2,3-triphenylbenzene is CCC(=O)CC.c1ccc(-c2cccc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of pentan-3-one;1,2,3-triphenylbenzene?
The InChIKey is XPIVEASAWIKNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18.C5H10O/c1-4-11-19(12-5-1)22-17-10-18-23(20-13-6-2-7-14-20)24(22)21-15-8-3-9-16-21;1-3-5(6)4-2/h1-18H;3-4H2,1-2H3.
What are the key properties of pentan-3-one;1,2,3-triphenylbenzene?
pentan-3-one;1,2,3-triphenylbenzene has a molecular weight of 392.54 g/mol, XLogP of 8.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-3-one;1,2,3-triphenylbenzene is sourced from PubChem (CID 174581900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).