2,3,6,7,10,11-hexamethoxytriphenylene

C24H24O6 — CID 4607363

IUPAC2,3,6,7,10,11-hexamethoxytriphenylene
SMILESCOc1cc2c3cc(OC)c(OC)cc3c3cc(OC)c(OC)cc3c2cc1OC
InChIInChI=1S/C24H24O6/c1-25-19-7-13-14(8-20(19)26-2)16-10-22(28-4)24(30-6)12-18(16)17-11-23(29-5)21(27-3)9-15(13)17/h7-12H,1-6H3
InChIKeyTXROZCSFVVIBFI-UHFFFAOYSA-N
MW408.45 g/mol
LogP5.20
Rot. Bonds6

About 2,3,6,7,10,11-hexamethoxytriphenylene

2,3,6,7,10,11-hexamethoxytriphenylene (PubChem CID 4607363) has the molecular formula C24H24O6 and a molecular weight of 408.45 g/mol. Its IUPAC name is 2,3,6,7,10,11-hexamethoxytriphenylene.

Molecular Properties

Compound Name2,3,6,7,10,11-hexamethoxytriphenylene
PubChem CID4607363
Molecular FormulaC24H24O6
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Name2,3,6,7,10,11-hexamethoxytriphenylene
SMILESCOc1cc2c3cc(OC)c(OC)cc3c3cc(OC)c(OC)cc3c2cc1OC
InChIInChI=1S/C24H24O6/c1-25-19-7-13-14(8-20(19)26-2)16-10-22(28-4)24(30-6)12-18(16)17-11-23(29-5)21(27-3)9-15(13)17/h7-12H,1-6H3
InChIKeyTXROZCSFVVIBFI-UHFFFAOYSA-N
XLogP5.20
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.45
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7,10,11-hexamethoxytriphenylene?
The IUPAC name of 2,3,6,7,10,11-hexamethoxytriphenylene (CID 4607363) is 2,3,6,7,10,11-hexamethoxytriphenylene.
What is the SMILES notation for 2,3,6,7,10,11-hexamethoxytriphenylene?
The canonical SMILES for 2,3,6,7,10,11-hexamethoxytriphenylene is COc1cc2c3cc(OC)c(OC)cc3c3cc(OC)c(OC)cc3c2cc1OC.
What is the InChIKey of 2,3,6,7,10,11-hexamethoxytriphenylene?
The InChIKey is TXROZCSFVVIBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O6/c1-25-19-7-13-14(8-20(19)26-2)16-10-22(28-4)24(30-6)12-18(16)17-11-23(29-5)21(27-3)9-15(13)17/h7-12H,1-6H3.
What are the key properties of 2,3,6,7,10,11-hexamethoxytriphenylene?
2,3,6,7,10,11-hexamethoxytriphenylene has a molecular weight of 408.45 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7,10,11-hexamethoxytriphenylene is sourced from PubChem (CID 4607363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).