(3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one

C27H22O — CID 86338470

IUPAC(3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one
SMILESO=C(C[C@H](c1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C27H22O/c28-27(25-14-8-3-9-15-25)20-26(23-12-6-2-7-13-23)24-18-16-22(17-19-24)21-10-4-1-5-11-21/h1-19,26H,20H2/t26-/m1/s1
InChIKeyATXZIRIZVDZMSS-AREMUKBSSA-N
MW362.47 g/mol
LogP6.76
Rot. Bonds6

About (3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one

(3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one (PubChem CID 86338470) has the molecular formula C27H22O and a molecular weight of 362.47 g/mol. Its IUPAC name is (3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name(3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one
PubChem CID86338470
Molecular FormulaC27H22O
Molecular Weight362.47 g/mol
Exact Mass362.17
IUPAC Name(3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one
SMILESO=C(C[C@H](c1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C27H22O/c28-27(25-14-8-3-9-15-25)20-26(23-12-6-2-7-13-23)24-18-16-22(17-19-24)21-10-4-1-5-11-21/h1-19,26H,20H2/t26-/m1/s1
InChIKeyATXZIRIZVDZMSS-AREMUKBSSA-N
XLogP6.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one
CID 102595151
(3R)-3-(3-hydroxyphenyl)-1,3-diphenylpropan-1-one
CID 102451950
3-[4-(6-methyl-3-pyridinyl)phenyl]-3-phenyl-1-pyridin-4-ylpropan-1-one
CID 90339611
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
(2S)-4-oxo-2,4-diphenylbutanoic acid
CID 6950859
(3S)-1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one
CID 102531736
5-hydroxy-1,3,5-triphenylpentan-1-one
CID 11727250
3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid
CID 23276830
4-hydroxy-3-[3-oxo-1-phenyl-3-(4-phenylphenyl)propyl]chromen-2-one
CID 54684642
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524
(3R)-1,3-diphenylpentane-1,4-dione
CID 90658388
(3R)-1,3-diphenylpentan-1-one
CID 11042799

Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one?
The IUPAC name of (3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one (CID 86338470) is (3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for (3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one?
The canonical SMILES for (3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one is O=C(C[C@H](c1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one?
The InChIKey is ATXZIRIZVDZMSS-AREMUKBSSA-N. The full InChI is InChI=1S/C27H22O/c28-27(25-14-8-3-9-15-25)20-26(23-12-6-2-7-13-23)24-18-16-22(17-19-24)21-10-4-1-5-11-21/h1-19,26H,20H2/t26-/m1/s1.
What are the key properties of (3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one?
(3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one has a molecular weight of 362.47 g/mol, XLogP of 6.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 86338470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).