2,4,6-triphenylbenzene-1,3,5-triol

C24H18O3 — CID 10338214

IUPAC2,4,6-triphenylbenzene-1,3,5-triol
SMILESOc1c(-c2ccccc2)c(O)c(-c2ccccc2)c(O)c1-c1ccccc1
InChIInChI=1S/C24H18O3/c25-22-19(16-10-4-1-5-11-16)23(26)21(18-14-8-3-9-15-18)24(27)20(22)17-12-6-2-7-13-17/h1-15,25-27H
InChIKeyVSDBHQBXUPUEJI-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.80
Rot. Bonds3

About 2,4,6-triphenylbenzene-1,3,5-triol

2,4,6-triphenylbenzene-1,3,5-triol (PubChem CID 10338214) has the molecular formula C24H18O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2,4,6-triphenylbenzene-1,3,5-triol.

Molecular Properties

Compound Name2,4,6-triphenylbenzene-1,3,5-triol
PubChem CID10338214
Molecular FormulaC24H18O3
Molecular Weight354.41 g/mol
Exact Mass354.13
IUPAC Name2,4,6-triphenylbenzene-1,3,5-triol
SMILESOc1c(-c2ccccc2)c(O)c(-c2ccccc2)c(O)c1-c1ccccc1
InChIInChI=1S/C24H18O3/c25-22-19(16-10-4-1-5-11-16)23(26)21(18-14-8-3-9-15-18)24(27)20(22)17-12-6-2-7-13-17/h1-15,25-27H
InChIKeyVSDBHQBXUPUEJI-UHFFFAOYSA-N
XLogP5.80
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenylbenzene-1,3,5-triol?
The IUPAC name of 2,4,6-triphenylbenzene-1,3,5-triol (CID 10338214) is 2,4,6-triphenylbenzene-1,3,5-triol.
What is the SMILES notation for 2,4,6-triphenylbenzene-1,3,5-triol?
The canonical SMILES for 2,4,6-triphenylbenzene-1,3,5-triol is Oc1c(-c2ccccc2)c(O)c(-c2ccccc2)c(O)c1-c1ccccc1.
What is the InChIKey of 2,4,6-triphenylbenzene-1,3,5-triol?
The InChIKey is VSDBHQBXUPUEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O3/c25-22-19(16-10-4-1-5-11-16)23(26)21(18-14-8-3-9-15-18)24(27)20(22)17-12-6-2-7-13-17/h1-15,25-27H.
What are the key properties of 2,4,6-triphenylbenzene-1,3,5-triol?
2,4,6-triphenylbenzene-1,3,5-triol has a molecular weight of 354.41 g/mol, XLogP of 5.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenylbenzene-1,3,5-triol is sourced from PubChem (CID 10338214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).