1,8-dichloro-9,10-dicyclohexyloxyanthracene

C26H28Cl2O2 — CID 139930091

IUPAC1,8-dichloro-9,10-dicyclohexyloxyanthracene
SMILESClc1cccc2c(OC3CCCCC3)c3cccc(Cl)c3c(OC3CCCCC3)c12
InChIInChI=1S/C26H28Cl2O2/c27-21-15-7-13-19-23(21)26(30-18-11-5-2-6-12-18)24-20(14-8-16-22(24)28)25(19)29-17-9-3-1-4-10-17/h7-8,13-18H,1-6,9-12H2
InChIKeyGLAUWYQGBAYNKU-UHFFFAOYSA-N
MW443.41 g/mol
LogP8.72
Rot. Bonds4

About 1,8-dichloro-9,10-dicyclohexyloxyanthracene

1,8-dichloro-9,10-dicyclohexyloxyanthracene (PubChem CID 139930091) has the molecular formula C26H28Cl2O2 and a molecular weight of 443.41 g/mol. Its IUPAC name is 1,8-dichloro-9,10-dicyclohexyloxyanthracene.

Molecular Properties

Compound Name1,8-dichloro-9,10-dicyclohexyloxyanthracene
PubChem CID139930091
Molecular FormulaC26H28Cl2O2
Molecular Weight443.41 g/mol
Exact Mass442.15
IUPAC Name1,8-dichloro-9,10-dicyclohexyloxyanthracene
SMILESClc1cccc2c(OC3CCCCC3)c3cccc(Cl)c3c(OC3CCCCC3)c12
InChIInChI=1S/C26H28Cl2O2/c27-21-15-7-13-19-23(21)26(30-18-11-5-2-6-12-18)24-20(14-8-16-22(24)28)25(19)29-17-9-3-1-4-10-17/h7-8,13-18H,1-6,9-12H2
InChIKeyGLAUWYQGBAYNKU-UHFFFAOYSA-N
XLogP8.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.41
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,8-dichloro-9,10-dicyclohexyloxyanthracene?
The IUPAC name of 1,8-dichloro-9,10-dicyclohexyloxyanthracene (CID 139930091) is 1,8-dichloro-9,10-dicyclohexyloxyanthracene.
What is the SMILES notation for 1,8-dichloro-9,10-dicyclohexyloxyanthracene?
The canonical SMILES for 1,8-dichloro-9,10-dicyclohexyloxyanthracene is Clc1cccc2c(OC3CCCCC3)c3cccc(Cl)c3c(OC3CCCCC3)c12.
What is the InChIKey of 1,8-dichloro-9,10-dicyclohexyloxyanthracene?
The InChIKey is GLAUWYQGBAYNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2O2/c27-21-15-7-13-19-23(21)26(30-18-11-5-2-6-12-18)24-20(14-8-16-22(24)28)25(19)29-17-9-3-1-4-10-17/h7-8,13-18H,1-6,9-12H2.
What are the key properties of 1,8-dichloro-9,10-dicyclohexyloxyanthracene?
1,8-dichloro-9,10-dicyclohexyloxyanthracene has a molecular weight of 443.41 g/mol, XLogP of 8.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dichloro-9,10-dicyclohexyloxyanthracene is sourced from PubChem (CID 139930091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).