cobalt;(6Z)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one;(6E)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one

C30H22CoN6O4 — CID 135914564

IUPACcobalt;(6Z)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one;(6E)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=C/C1=C/N=N/c1c(O)[nH]c2ccccc12.O=C1C=CC=C/C1=C\N=N\c1c(O)[nH]c2ccccc12.[Co]
InChIInChI=1S/2C15H11N3O2.Co/c2*19-13-8-4-1-5-10(13)9-16-18-14-11-6-2-3-7-12(11)17-15(14)20;/h2*1-9,17,20H;/b10-9+,18-16+;10-9-,18-16+;
InChIKeyWQKAAPHECUKNHK-KYQSDNPUSA-N
MW589.48 g/mol
LogP7.07
Rot. Bonds4

About cobalt;(6Z)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one;(6E)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one

cobalt;(6Z)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one;(6E)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one (PubChem CID 135914564) has the molecular formula C30H22CoN6O4 and a molecular weight of 589.48 g/mol. Its IUPAC name is cobalt;(6Z)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one;(6E)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Namecobalt;(6Z)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one;(6E)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one
PubChem CID135914564
Molecular FormulaC30H22CoN6O4
Molecular Weight589.48 g/mol
Exact Mass589.10
IUPAC Namecobalt;(6Z)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one;(6E)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=C/C1=C/N=N/c1c(O)[nH]c2ccccc12.O=C1C=CC=C/C1=C\N=N\c1c(O)[nH]c2ccccc12.[Co]
InChIInChI=1S/2C15H11N3O2.Co/c2*19-13-8-4-1-5-10(13)9-16-18-14-11-6-2-3-7-12(11)17-15(14)20;/h2*1-9,17,20H;/b10-9+,18-16+;10-9-,18-16+;
InChIKeyWQKAAPHECUKNHK-KYQSDNPUSA-N
XLogP7.07
TPSA155.62 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.48
LogP ≤ 57.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze cobalt;(6Z)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one;(6E)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of cobalt;(6Z)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one;(6E)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one?
The IUPAC name of cobalt;(6Z)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one;(6E)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one (CID 135914564) is cobalt;(6Z)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one;(6E)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for cobalt;(6Z)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one;(6E)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one?
The canonical SMILES for cobalt;(6Z)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one;(6E)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one is O=C1C=CC=C/C1=C/N=N/c1c(O)[nH]c2ccccc12.O=C1C=CC=C/C1=C\N=N\c1c(O)[nH]c2ccccc12.[Co].
What is the InChIKey of cobalt;(6Z)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one;(6E)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one?
The InChIKey is WQKAAPHECUKNHK-KYQSDNPUSA-N. The full InChI is InChI=1S/2C15H11N3O2.Co/c2*19-13-8-4-1-5-10(13)9-16-18-14-11-6-2-3-7-12(11)17-15(14)20;/h2*1-9,17,20H;/b10-9+,18-16+;10-9-,18-16+;.
What are the key properties of cobalt;(6Z)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one;(6E)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one?
cobalt;(6Z)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one;(6E)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 589.48 g/mol, XLogP of 7.07, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;(6Z)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one;(6E)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 135914564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).