(6R,13R)-2,3-dibromo-6,13-dihydropentacene-6,13-diol

C22H14Br2O2 — CID 102051426

IUPAC(6R,13R)-2,3-dibromo-6,13-dihydropentacene-6,13-diol
SMILESO[C@@H]1c2cc3ccccc3cc2[C@@H](O)c2cc3cc(Br)c(Br)cc3cc21
InChIInChI=1S/C22H14Br2O2/c23-19-9-13-7-17-18(8-14(13)10-20(19)24)22(26)16-6-12-4-2-1-3-11(12)5-15(16)21(17)25/h1-10,21-22,25-26H/t21-,22-/m1/s1
InChIKeyDEHFFQTZJBPIGR-FGZHOGPDSA-N
MW470.16 g/mol
LogP5.99
Rot. Bonds

About (6R,13R)-2,3-dibromo-6,13-dihydropentacene-6,13-diol

(6R,13R)-2,3-dibromo-6,13-dihydropentacene-6,13-diol (PubChem CID 102051426) has the molecular formula C22H14Br2O2 and a molecular weight of 470.16 g/mol. Its IUPAC name is (6R,13R)-2,3-dibromo-6,13-dihydropentacene-6,13-diol.

Molecular Properties

Compound Name(6R,13R)-2,3-dibromo-6,13-dihydropentacene-6,13-diol
PubChem CID102051426
Molecular FormulaC22H14Br2O2
Molecular Weight470.16 g/mol
Exact Mass467.94
IUPAC Name(6R,13R)-2,3-dibromo-6,13-dihydropentacene-6,13-diol
SMILESO[C@@H]1c2cc3ccccc3cc2[C@@H](O)c2cc3cc(Br)c(Br)cc3cc21
InChIInChI=1S/C22H14Br2O2/c23-19-9-13-7-17-18(8-14(13)10-20(19)24)22(26)16-6-12-4-2-1-3-11(12)5-15(16)21(17)25/h1-10,21-22,25-26H/t21-,22-/m1/s1
InChIKeyDEHFFQTZJBPIGR-FGZHOGPDSA-N
XLogP5.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.16
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (6R,13R)-2,3-dibromo-6,13-dihydropentacene-6,13-diol 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 (6R,13R)-2,3-dibromo-6,13-dihydropentacene-6,13-diol?
The IUPAC name of (6R,13R)-2,3-dibromo-6,13-dihydropentacene-6,13-diol (CID 102051426) is (6R,13R)-2,3-dibromo-6,13-dihydropentacene-6,13-diol.
What is the SMILES notation for (6R,13R)-2,3-dibromo-6,13-dihydropentacene-6,13-diol?
The canonical SMILES for (6R,13R)-2,3-dibromo-6,13-dihydropentacene-6,13-diol is O[C@@H]1c2cc3ccccc3cc2[C@@H](O)c2cc3cc(Br)c(Br)cc3cc21.
What is the InChIKey of (6R,13R)-2,3-dibromo-6,13-dihydropentacene-6,13-diol?
The InChIKey is DEHFFQTZJBPIGR-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H14Br2O2/c23-19-9-13-7-17-18(8-14(13)10-20(19)24)22(26)16-6-12-4-2-1-3-11(12)5-15(16)21(17)25/h1-10,21-22,25-26H/t21-,22-/m1/s1.
What are the key properties of (6R,13R)-2,3-dibromo-6,13-dihydropentacene-6,13-diol?
(6R,13R)-2,3-dibromo-6,13-dihydropentacene-6,13-diol has a molecular weight of 470.16 g/mol, XLogP of 5.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,13R)-2,3-dibromo-6,13-dihydropentacene-6,13-diol is sourced from PubChem (CID 102051426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).