cobalt;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)

C26H34CoN2O2 — CID 6821955

IUPACcobalt;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)
SMILESO=C1C=CC=CC1=CNC1CCCCC1.O=C1C=CC=CC1=CNC1CCCCC1.[Co]
InChIInChI=1S/2C13H17NO.Co/c2*15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12;/h2*4-6,9-10,12,14H,1-3,7-8H2;
InChIKeyLSMHJCOXFLSUAI-UHFFFAOYSA-N
MW465.50 g/mol
LogP4.97
Rot. Bonds4

About cobalt;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)

cobalt;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one) (PubChem CID 6821955) has the molecular formula C26H34CoN2O2 and a molecular weight of 465.50 g/mol. Its IUPAC name is cobalt;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one).

Molecular Properties

Compound Namecobalt;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)
PubChem CID6821955
Molecular FormulaC26H34CoN2O2
Molecular Weight465.50 g/mol
Exact Mass465.20
IUPAC Namecobalt;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)
SMILESO=C1C=CC=CC1=CNC1CCCCC1.O=C1C=CC=CC1=CNC1CCCCC1.[Co]
InChIInChI=1S/2C13H17NO.Co/c2*15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12;/h2*4-6,9-10,12,14H,1-3,7-8H2;
InChIKeyLSMHJCOXFLSUAI-UHFFFAOYSA-N
XLogP4.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

iron;tris((6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one)
CID 5379606
nickel;(6Z)-6-[[7-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]heptylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379704
cobalt;(6Z)-6-[[7-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]heptylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379711
copper;(6Z)-6-[[7-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]heptylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379739
bis((6Z)-6-[(butan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);copper
CID 5475135
copper;bis((6Z)-6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)
CID 5475599
cobalt;bis((6Z)-6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)
CID 5475602
bis((6Z)-6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one);nickel
CID 5475606
cobalt;bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one)
CID 5475607
Bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one);nickel
CID 6811335
Cobalt;bis(6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one)
CID 6811336
Bis(6-[(butan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);copper
CID 6813240

Frequently Asked Questions

What is the IUPAC name of cobalt;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)?
The IUPAC name of cobalt;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one) (CID 6821955) is cobalt;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one).
What is the SMILES notation for cobalt;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)?
The canonical SMILES for cobalt;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one) is O=C1C=CC=CC1=CNC1CCCCC1.O=C1C=CC=CC1=CNC1CCCCC1.[Co].
What is the InChIKey of cobalt;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)?
The InChIKey is LSMHJCOXFLSUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H17NO.Co/c2*15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12;/h2*4-6,9-10,12,14H,1-3,7-8H2;.
What are the key properties of cobalt;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)?
cobalt;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one) has a molecular weight of 465.50 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one) is sourced from PubChem (CID 6821955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).