4,6,10,12-tetrachlorotetracene-5,11-dione

C18H6Cl4O2 — CID 70840909

IUPAC4,6,10,12-tetrachlorotetracene-5,11-dione
SMILESO=C1C2=C(Cl)c3cccc(Cl)c3C(=O)C2=C(Cl)c2cccc(Cl)c21
InChIInChI=1S/C18H6Cl4O2/c19-9-5-1-3-7-11(9)17(23)14-13(15(7)21)18(24)12-8(16(14)22)4-2-6-10(12)20/h1-6H
InChIKeyDDWUSFMVWPVOBS-UHFFFAOYSA-N
MW396.06 g/mol
LogP5.99
Rot. Bonds

About 4,6,10,12-tetrachlorotetracene-5,11-dione

4,6,10,12-tetrachlorotetracene-5,11-dione (PubChem CID 70840909) has the molecular formula C18H6Cl4O2 and a molecular weight of 396.06 g/mol. Its IUPAC name is 4,6,10,12-tetrachlorotetracene-5,11-dione.

Molecular Properties

Compound Name4,6,10,12-tetrachlorotetracene-5,11-dione
PubChem CID70840909
Molecular FormulaC18H6Cl4O2
Molecular Weight396.06 g/mol
Exact Mass393.91
IUPAC Name4,6,10,12-tetrachlorotetracene-5,11-dione
SMILESO=C1C2=C(Cl)c3cccc(Cl)c3C(=O)C2=C(Cl)c2cccc(Cl)c21
InChIInChI=1S/C18H6Cl4O2/c19-9-5-1-3-7-11(9)17(23)14-13(15(7)21)18(24)12-8(16(14)22)4-2-6-10(12)20/h1-6H
InChIKeyDDWUSFMVWPVOBS-UHFFFAOYSA-N
XLogP5.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.06
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6,10,12-tetrachlorotetracene-5,11-dione?
The IUPAC name of 4,6,10,12-tetrachlorotetracene-5,11-dione (CID 70840909) is 4,6,10,12-tetrachlorotetracene-5,11-dione.
What is the SMILES notation for 4,6,10,12-tetrachlorotetracene-5,11-dione?
The canonical SMILES for 4,6,10,12-tetrachlorotetracene-5,11-dione is O=C1C2=C(Cl)c3cccc(Cl)c3C(=O)C2=C(Cl)c2cccc(Cl)c21.
What is the InChIKey of 4,6,10,12-tetrachlorotetracene-5,11-dione?
The InChIKey is DDWUSFMVWPVOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6Cl4O2/c19-9-5-1-3-7-11(9)17(23)14-13(15(7)21)18(24)12-8(16(14)22)4-2-6-10(12)20/h1-6H.
What are the key properties of 4,6,10,12-tetrachlorotetracene-5,11-dione?
4,6,10,12-tetrachlorotetracene-5,11-dione has a molecular weight of 396.06 g/mol, XLogP of 5.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,10,12-tetrachlorotetracene-5,11-dione is sourced from PubChem (CID 70840909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).