4,4,5,5-tetraphenyl-1,3-dioxolane

C27H22O2 — CID 3539105

IUPAC4,4,5,5-tetraphenyl-1,3-dioxolane
SMILESc1ccc(C2(c3ccccc3)OCOC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H22O2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)27(29-21-28-26,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2
InChIKeyZSGIDXIIKOCLFN-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.88
Rot. Bonds4

About 4,4,5,5-tetraphenyl-1,3-dioxolane

4,4,5,5-tetraphenyl-1,3-dioxolane (PubChem CID 3539105) has the molecular formula C27H22O2 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4,4,5,5-tetraphenyl-1,3-dioxolane.

Molecular Properties

Compound Name4,4,5,5-tetraphenyl-1,3-dioxolane
PubChem CID3539105
Molecular FormulaC27H22O2
Molecular Weight378.47 g/mol
Exact Mass378.16
IUPAC Name4,4,5,5-tetraphenyl-1,3-dioxolane
SMILESc1ccc(C2(c3ccccc3)OCOC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H22O2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)27(29-21-28-26,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2
InChIKeyZSGIDXIIKOCLFN-UHFFFAOYSA-N
XLogP5.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetraphenyl-1,3-dioxolane?
The IUPAC name of 4,4,5,5-tetraphenyl-1,3-dioxolane (CID 3539105) is 4,4,5,5-tetraphenyl-1,3-dioxolane.
What is the SMILES notation for 4,4,5,5-tetraphenyl-1,3-dioxolane?
The canonical SMILES for 4,4,5,5-tetraphenyl-1,3-dioxolane is c1ccc(C2(c3ccccc3)OCOC2(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4,4,5,5-tetraphenyl-1,3-dioxolane?
The InChIKey is ZSGIDXIIKOCLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)27(29-21-28-26,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2.
What are the key properties of 4,4,5,5-tetraphenyl-1,3-dioxolane?
4,4,5,5-tetraphenyl-1,3-dioxolane has a molecular weight of 378.47 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetraphenyl-1,3-dioxolane is sourced from PubChem (CID 3539105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).