(2R,3R)-2,3-bis(4-phenylphenyl)oxirane

C26H20O — CID 15400082

IUPAC(2R,3R)-2,3-bis(4-phenylphenyl)oxirane
SMILESc1ccc(-c2ccc([C@H]3O[C@@H]3c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C26H20O/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-26(27-25)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18,25-26H/t25-,26-/m1/s1
InChIKeyICAZZOAIOYXVIA-CLJLJLNGSA-N
MW348.44 g/mol
LogP6.83
Rot. Bonds4

About (2R,3R)-2,3-bis(4-phenylphenyl)oxirane

(2R,3R)-2,3-bis(4-phenylphenyl)oxirane (PubChem CID 15400082) has the molecular formula C26H20O and a molecular weight of 348.44 g/mol. Its IUPAC name is (2R,3R)-2,3-bis(4-phenylphenyl)oxirane.

Molecular Properties

Compound Name(2R,3R)-2,3-bis(4-phenylphenyl)oxirane
PubChem CID15400082
Molecular FormulaC26H20O
Molecular Weight348.44 g/mol
Exact Mass348.15
IUPAC Name(2R,3R)-2,3-bis(4-phenylphenyl)oxirane
SMILESc1ccc(-c2ccc([C@H]3O[C@@H]3c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C26H20O/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-26(27-25)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18,25-26H/t25-,26-/m1/s1
InChIKeyICAZZOAIOYXVIA-CLJLJLNGSA-N
XLogP6.83
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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2-(4-methylphenyl)-3-phenyloxirane
CID 602487
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
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benzene;tris(1,1'-biphenyl)
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(2R,3S,4S,5R)-2,3,4,5-tetraphenyloxolane
CID 102288914
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,1'-biphenyl;hydroiodide
CID 66586334
benzene;bis(1,1'-biphenyl);methane
CID 158742993
1,1'-biphenyl;indigane
CID 174363765
1,1'-biphenyl;hydrofluoride
CID 67516975
1,1'-biphenyl;mercury
CID 67099988
bis(1,1'-biphenyl);sulfane
CID 22247507

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-bis(4-phenylphenyl)oxirane?
The IUPAC name of (2R,3R)-2,3-bis(4-phenylphenyl)oxirane (CID 15400082) is (2R,3R)-2,3-bis(4-phenylphenyl)oxirane.
What is the SMILES notation for (2R,3R)-2,3-bis(4-phenylphenyl)oxirane?
The canonical SMILES for (2R,3R)-2,3-bis(4-phenylphenyl)oxirane is c1ccc(-c2ccc([C@H]3O[C@@H]3c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of (2R,3R)-2,3-bis(4-phenylphenyl)oxirane?
The InChIKey is ICAZZOAIOYXVIA-CLJLJLNGSA-N. The full InChI is InChI=1S/C26H20O/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-26(27-25)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18,25-26H/t25-,26-/m1/s1.
What are the key properties of (2R,3R)-2,3-bis(4-phenylphenyl)oxirane?
(2R,3R)-2,3-bis(4-phenylphenyl)oxirane has a molecular weight of 348.44 g/mol, XLogP of 6.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-bis(4-phenylphenyl)oxirane is sourced from PubChem (CID 15400082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).