4,4,5,5-tetraphenyl-1,3-dioxolan-2-one

C27H20O3 — CID 86177862

IUPAC4,4,5,5-tetraphenyl-1,3-dioxolan-2-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C27H20O3/c28-25-29-26(21-13-5-1-6-14-21,22-15-7-2-8-16-22)27(30-25,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyLUTSIEVEBIPSBA-UHFFFAOYSA-N
MW392.45 g/mol
LogP6.04
Rot. Bonds4

About 4,4,5,5-tetraphenyl-1,3-dioxolan-2-one

4,4,5,5-tetraphenyl-1,3-dioxolan-2-one (PubChem CID 86177862) has the molecular formula C27H20O3 and a molecular weight of 392.45 g/mol. Its IUPAC name is 4,4,5,5-tetraphenyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4,4,5,5-tetraphenyl-1,3-dioxolan-2-one
PubChem CID86177862
Molecular FormulaC27H20O3
Molecular Weight392.45 g/mol
Exact Mass392.14
IUPAC Name4,4,5,5-tetraphenyl-1,3-dioxolan-2-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C27H20O3/c28-25-29-26(21-13-5-1-6-14-21,22-15-7-2-8-16-22)27(30-25,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyLUTSIEVEBIPSBA-UHFFFAOYSA-N
XLogP6.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.45
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(11S,15R)-5-methyl-11,15-diphenyl-12,14-dioxatetracyclo[8.5.0.03,8.011,15]pentadeca-1(10),2,4,6,8-pentaen-13-one
CID 134948571
4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-ium 2-oxide
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2-methyl-4,4,5,5-tetraphenyl-1,3,2-dioxalumolane
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3,4-diiodo-5,5-diphenylfuran-2-one
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(5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one
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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetraphenyl-1,3-dioxolan-2-one?
The IUPAC name of 4,4,5,5-tetraphenyl-1,3-dioxolan-2-one (CID 86177862) is 4,4,5,5-tetraphenyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4,4,5,5-tetraphenyl-1,3-dioxolan-2-one?
The canonical SMILES for 4,4,5,5-tetraphenyl-1,3-dioxolan-2-one is O=C1OC(c2ccccc2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 4,4,5,5-tetraphenyl-1,3-dioxolan-2-one?
The InChIKey is LUTSIEVEBIPSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20O3/c28-25-29-26(21-13-5-1-6-14-21,22-15-7-2-8-16-22)27(30-25,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H.
What are the key properties of 4,4,5,5-tetraphenyl-1,3-dioxolan-2-one?
4,4,5,5-tetraphenyl-1,3-dioxolan-2-one has a molecular weight of 392.45 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetraphenyl-1,3-dioxolan-2-one is sourced from PubChem (CID 86177862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).