2,7-dibromo-9,10-dimethoxy-9,10-dimethylphenanthrene

C18H18Br2O2 — CID 23150365

IUPAC2,7-dibromo-9,10-dimethoxy-9,10-dimethylphenanthrene
SMILESCOC1(C)c2cc(Br)ccc2-c2ccc(Br)cc2C1(C)OC
InChIInChI=1S/C18H18Br2O2/c1-17(21-3)15-9-11(19)5-7-13(15)14-8-6-12(20)10-16(14)18(17,2)22-4/h5-10H,1-4H3
InChIKeyNRJGSNJMKWLULL-UHFFFAOYSA-N
MW426.15 g/mol
LogP5.62
Rot. Bonds2

About 2,7-dibromo-9,10-dimethoxy-9,10-dimethylphenanthrene

2,7-dibromo-9,10-dimethoxy-9,10-dimethylphenanthrene (PubChem CID 23150365) has the molecular formula C18H18Br2O2 and a molecular weight of 426.15 g/mol. Its IUPAC name is 2,7-dibromo-9,10-dimethoxy-9,10-dimethylphenanthrene.

Molecular Properties

Compound Name2,7-dibromo-9,10-dimethoxy-9,10-dimethylphenanthrene
PubChem CID23150365
Molecular FormulaC18H18Br2O2
Molecular Weight426.15 g/mol
Exact Mass423.97
IUPAC Name2,7-dibromo-9,10-dimethoxy-9,10-dimethylphenanthrene
SMILESCOC1(C)c2cc(Br)ccc2-c2ccc(Br)cc2C1(C)OC
InChIInChI=1S/C18H18Br2O2/c1-17(21-3)15-9-11(19)5-7-13(15)14-8-6-12(20)10-16(14)18(17,2)22-4/h5-10H,1-4H3
InChIKeyNRJGSNJMKWLULL-UHFFFAOYSA-N
XLogP5.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.15
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,10-dimethoxy-9,10-dimethylphenanthrene?
The IUPAC name of 2,7-dibromo-9,10-dimethoxy-9,10-dimethylphenanthrene (CID 23150365) is 2,7-dibromo-9,10-dimethoxy-9,10-dimethylphenanthrene.
What is the SMILES notation for 2,7-dibromo-9,10-dimethoxy-9,10-dimethylphenanthrene?
The canonical SMILES for 2,7-dibromo-9,10-dimethoxy-9,10-dimethylphenanthrene is COC1(C)c2cc(Br)ccc2-c2ccc(Br)cc2C1(C)OC.
What is the InChIKey of 2,7-dibromo-9,10-dimethoxy-9,10-dimethylphenanthrene?
The InChIKey is NRJGSNJMKWLULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2O2/c1-17(21-3)15-9-11(19)5-7-13(15)14-8-6-12(20)10-16(14)18(17,2)22-4/h5-10H,1-4H3.
What are the key properties of 2,7-dibromo-9,10-dimethoxy-9,10-dimethylphenanthrene?
2,7-dibromo-9,10-dimethoxy-9,10-dimethylphenanthrene has a molecular weight of 426.15 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9,10-dimethoxy-9,10-dimethylphenanthrene is sourced from PubChem (CID 23150365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).