1,3,5-triphenoxybenzene

C24H18O3 — CID 18435273

IUPAC1,3,5-triphenoxybenzene
SMILESc1ccc(Oc2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C24H18O3/c1-4-10-19(11-5-1)25-22-16-23(26-20-12-6-2-7-13-20)18-24(17-22)27-21-14-8-3-9-15-21/h1-18H
InChIKeyZBABOJPAZZKCKF-UHFFFAOYSA-N
MW354.41 g/mol
LogP7.06
Rot. Bonds6

About 1,3,5-triphenoxybenzene

1,3,5-triphenoxybenzene (PubChem CID 18435273) has the molecular formula C24H18O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1,3,5-triphenoxybenzene.

Molecular Properties

Compound Name1,3,5-triphenoxybenzene
PubChem CID18435273
Molecular FormulaC24H18O3
Molecular Weight354.41 g/mol
Exact Mass354.13
IUPAC Name1,3,5-triphenoxybenzene
SMILESc1ccc(Oc2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C24H18O3/c1-4-10-19(11-5-1)25-22-16-23(26-20-12-6-2-7-13-20)18-24(17-22)27-21-14-8-3-9-15-21/h1-18H
InChIKeyZBABOJPAZZKCKF-UHFFFAOYSA-N
XLogP7.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triphenoxybenzene?
The IUPAC name of 1,3,5-triphenoxybenzene (CID 18435273) is 1,3,5-triphenoxybenzene.
What is the SMILES notation for 1,3,5-triphenoxybenzene?
The canonical SMILES for 1,3,5-triphenoxybenzene is c1ccc(Oc2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 1,3,5-triphenoxybenzene?
The InChIKey is ZBABOJPAZZKCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O3/c1-4-10-19(11-5-1)25-22-16-23(26-20-12-6-2-7-13-20)18-24(17-22)27-21-14-8-3-9-15-21/h1-18H.
What are the key properties of 1,3,5-triphenoxybenzene?
1,3,5-triphenoxybenzene has a molecular weight of 354.41 g/mol, XLogP of 7.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triphenoxybenzene is sourced from PubChem (CID 18435273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).