2,4,6-triphenylbenzene-1,3-diol

C24H18O2 — CID 4174685

IUPAC2,4,6-triphenylbenzene-1,3-diol
SMILESOc1c(-c2ccccc2)cc(-c2ccccc2)c(O)c1-c1ccccc1
InChIInChI=1S/C24H18O2/c25-23-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)24(26)22(23)19-14-8-3-9-15-19/h1-16,25-26H
InChIKeyXIHRWELJVJDGER-UHFFFAOYSA-N
MW338.41 g/mol
LogP6.10
Rot. Bonds3

About 2,4,6-triphenylbenzene-1,3-diol

2,4,6-triphenylbenzene-1,3-diol (PubChem CID 4174685) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2,4,6-triphenylbenzene-1,3-diol.

Molecular Properties

Compound Name2,4,6-triphenylbenzene-1,3-diol
PubChem CID4174685
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Name2,4,6-triphenylbenzene-1,3-diol
SMILESOc1c(-c2ccccc2)cc(-c2ccccc2)c(O)c1-c1ccccc1
InChIInChI=1S/C24H18O2/c25-23-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)24(26)22(23)19-14-8-3-9-15-19/h1-16,25-26H
InChIKeyXIHRWELJVJDGER-UHFFFAOYSA-N
XLogP6.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenylbenzene-1,3-diol?
The IUPAC name of 2,4,6-triphenylbenzene-1,3-diol (CID 4174685) is 2,4,6-triphenylbenzene-1,3-diol.
What is the SMILES notation for 2,4,6-triphenylbenzene-1,3-diol?
The canonical SMILES for 2,4,6-triphenylbenzene-1,3-diol is Oc1c(-c2ccccc2)cc(-c2ccccc2)c(O)c1-c1ccccc1.
What is the InChIKey of 2,4,6-triphenylbenzene-1,3-diol?
The InChIKey is XIHRWELJVJDGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O2/c25-23-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)24(26)22(23)19-14-8-3-9-15-19/h1-16,25-26H.
What are the key properties of 2,4,6-triphenylbenzene-1,3-diol?
2,4,6-triphenylbenzene-1,3-diol has a molecular weight of 338.41 g/mol, XLogP of 6.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenylbenzene-1,3-diol is sourced from PubChem (CID 4174685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).