5,12-dimethoxyrubicene

C28H18O2 — CID 10667865

IUPAC5,12-dimethoxyrubicene
SMILESCOc1ccc2c(c1)c1cccc3c1c2c1cccc2c4cc(OC)ccc4c3c21
InChIInChI=1S/C28H18O2/c1-29-15-9-11-19-23(13-15)17-5-3-7-21-25(17)27(19)22-8-4-6-18-24-14-16(30-2)10-12-20(24)28(21)26(18)22/h3-14H,1-2H3
InChIKeyZRXSFAZOGRFSJV-UHFFFAOYSA-N
MW386.45 g/mol
LogP7.50
Rot. Bonds2

About 5,12-dimethoxyrubicene

5,12-dimethoxyrubicene (PubChem CID 10667865) has the molecular formula C28H18O2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 5,12-dimethoxyrubicene.

Molecular Properties

Compound Name5,12-dimethoxyrubicene
PubChem CID10667865
Molecular FormulaC28H18O2
Molecular Weight386.45 g/mol
Exact Mass386.13
IUPAC Name5,12-dimethoxyrubicene
SMILESCOc1ccc2c(c1)c1cccc3c1c2c1cccc2c4cc(OC)ccc4c3c21
InChIInChI=1S/C28H18O2/c1-29-15-9-11-19-23(13-15)17-5-3-7-21-25(17)27(19)22-8-4-6-18-24-14-16(30-2)10-12-20(24)28(21)26(18)22/h3-14H,1-2H3
InChIKeyZRXSFAZOGRFSJV-UHFFFAOYSA-N
XLogP7.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,12-dimethoxyrubicene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,12-dimethoxyrubicene?
The IUPAC name of 5,12-dimethoxyrubicene (CID 10667865) is 5,12-dimethoxyrubicene.
What is the SMILES notation for 5,12-dimethoxyrubicene?
The canonical SMILES for 5,12-dimethoxyrubicene is COc1ccc2c(c1)c1cccc3c1c2c1cccc2c4cc(OC)ccc4c3c21.
What is the InChIKey of 5,12-dimethoxyrubicene?
The InChIKey is ZRXSFAZOGRFSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18O2/c1-29-15-9-11-19-23(13-15)17-5-3-7-21-25(17)27(19)22-8-4-6-18-24-14-16(30-2)10-12-20(24)28(21)26(18)22/h3-14H,1-2H3.
What are the key properties of 5,12-dimethoxyrubicene?
5,12-dimethoxyrubicene has a molecular weight of 386.45 g/mol, XLogP of 7.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-dimethoxyrubicene is sourced from PubChem (CID 10667865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).