benzhydryl 2-(4-phenylbenzoyl)benzoate

C33H24O3 — CID 126188942

IUPACbenzhydryl 2-(4-phenylbenzoyl)benzoate
SMILESO=C(OC(c1ccccc1)c1ccccc1)c1ccccc1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H24O3/c34-31(26-22-20-25(21-23-26)24-12-4-1-5-13-24)29-18-10-11-19-30(29)33(35)36-32(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-23,32H
InChIKeyNBHYHCRAVLNYDC-UHFFFAOYSA-N
MW468.55 g/mol
LogP7.53
Rot. Bonds7

About benzhydryl 2-(4-phenylbenzoyl)benzoate

benzhydryl 2-(4-phenylbenzoyl)benzoate (PubChem CID 126188942) has the molecular formula C33H24O3 and a molecular weight of 468.55 g/mol. Its IUPAC name is benzhydryl 2-(4-phenylbenzoyl)benzoate.

Molecular Properties

Compound Namebenzhydryl 2-(4-phenylbenzoyl)benzoate
PubChem CID126188942
Molecular FormulaC33H24O3
Molecular Weight468.55 g/mol
Exact Mass468.17
IUPAC Namebenzhydryl 2-(4-phenylbenzoyl)benzoate
SMILESO=C(OC(c1ccccc1)c1ccccc1)c1ccccc1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H24O3/c34-31(26-22-20-25(21-23-26)24-12-4-1-5-13-24)29-18-10-11-19-30(29)33(35)36-32(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-23,32H
InChIKeyNBHYHCRAVLNYDC-UHFFFAOYSA-N
XLogP7.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.55
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-iodophenyl)-(4-phenylphenyl)methanone
CID 43337741
phenyl-(4-phenylphenyl)methanone
CID 155775877
benzhydryl 2-[hydroxy(methyl)amino]benzoate
CID 174834838
2-ethylhexyl 2-[4-(4-phenylphenyl)benzoyl]benzoate
CID 118478540
amino 2-benzoylbenzoate
CID 19737509
naphthalen-1-yl-(4-phenylphenyl)methanone
CID 23218936
[(1S)-1-phenylethyl] 4-[4-[4-[(1S)-1-phenylethoxy]carbonylphenyl]phenyl]benzoate
CID 67736899
benzhydryl pyridine-4-carboxylate
CID 891439
2-[3,4-bis(benzhydryloxycarbonyl)phenyl]acetic acid
CID 19591445
benzhydryl 4-(trifluoromethyl)benzoate
CID 132819939
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-benzoylbenzoate
CID 7815167
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methylbenzoyl)benzoate
CID 3518860

Frequently Asked Questions

What is the IUPAC name of benzhydryl 2-(4-phenylbenzoyl)benzoate?
The IUPAC name of benzhydryl 2-(4-phenylbenzoyl)benzoate (CID 126188942) is benzhydryl 2-(4-phenylbenzoyl)benzoate.
What is the SMILES notation for benzhydryl 2-(4-phenylbenzoyl)benzoate?
The canonical SMILES for benzhydryl 2-(4-phenylbenzoyl)benzoate is O=C(OC(c1ccccc1)c1ccccc1)c1ccccc1C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of benzhydryl 2-(4-phenylbenzoyl)benzoate?
The InChIKey is NBHYHCRAVLNYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24O3/c34-31(26-22-20-25(21-23-26)24-12-4-1-5-13-24)29-18-10-11-19-30(29)33(35)36-32(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-23,32H.
What are the key properties of benzhydryl 2-(4-phenylbenzoyl)benzoate?
benzhydryl 2-(4-phenylbenzoyl)benzoate has a molecular weight of 468.55 g/mol, XLogP of 7.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 2-(4-phenylbenzoyl)benzoate is sourced from PubChem (CID 126188942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).