(6Z)-6-[[[1,2-bis(2-hydroxyphenyl)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one;cobalt

C28H24CoN2O4 — CID 11386658

IUPAC(6Z)-6-[[[1,2-bis(2-hydroxyphenyl)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one;cobalt
SMILESO=C1C=CC=C/C1=C/NC(c1ccccc1O)C(N/C=C1/C=CC=CC1=O)c1ccccc1O.[Co]
InChIInChI=1S/C28H24N2O4.Co/c31-23-13-5-1-9-19(23)17-29-27(21-11-3-7-15-25(21)33)28(22-12-4-8-16-26(22)34)30-18-20-10-2-6-14-24(20)32;/h1-18,27-30,33-34H;/b19-17-,20-18-;
InChIKeyNWCRQERHLJTFCC-AWLASTDMSA-N
MW511.44 g/mol
LogP4.21
Rot. Bonds7

About (6Z)-6-[[[1,2-bis(2-hydroxyphenyl)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one;cobalt

(6Z)-6-[[[1,2-bis(2-hydroxyphenyl)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one;cobalt (PubChem CID 11386658) has the molecular formula C28H24CoN2O4 and a molecular weight of 511.44 g/mol. Its IUPAC name is (6Z)-6-[[[1,2-bis(2-hydroxyphenyl)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one;cobalt.

Molecular Properties

Compound Name(6Z)-6-[[[1,2-bis(2-hydroxyphenyl)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one;cobalt
PubChem CID11386658
Molecular FormulaC28H24CoN2O4
Molecular Weight511.44 g/mol
Exact Mass511.11
IUPAC Name(6Z)-6-[[[1,2-bis(2-hydroxyphenyl)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one;cobalt
SMILESO=C1C=CC=C/C1=C/NC(c1ccccc1O)C(N/C=C1/C=CC=CC1=O)c1ccccc1O.[Co]
InChIInChI=1S/C28H24N2O4.Co/c31-23-13-5-1-9-19(23)17-29-27(21-11-3-7-15-25(21)33)28(22-12-4-8-16-26(22)34)30-18-20-10-2-6-14-24(20)32;/h1-18,27-30,33-34H;/b19-17-,20-18-;
InChIKeyNWCRQERHLJTFCC-AWLASTDMSA-N
XLogP4.21
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.44
LogP ≤ 54.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (6Z)-6-[[[1,2-bis(2-hydroxyphenyl)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one;cobalt with MolForge

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Related Compounds

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2-[(2R,3R,5S)-3-(2-hydroxyphenyl)-5-(2-methylpropyl)piperazin-2-yl]phenol
CID 15696222
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Kuwar 1948
CID 139163513

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[[[1,2-bis(2-hydroxyphenyl)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one;cobalt?
The IUPAC name of (6Z)-6-[[[1,2-bis(2-hydroxyphenyl)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one;cobalt (CID 11386658) is (6Z)-6-[[[1,2-bis(2-hydroxyphenyl)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one;cobalt.
What is the SMILES notation for (6Z)-6-[[[1,2-bis(2-hydroxyphenyl)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one;cobalt?
The canonical SMILES for (6Z)-6-[[[1,2-bis(2-hydroxyphenyl)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one;cobalt is O=C1C=CC=C/C1=C/NC(c1ccccc1O)C(N/C=C1/C=CC=CC1=O)c1ccccc1O.[Co].
What is the InChIKey of (6Z)-6-[[[1,2-bis(2-hydroxyphenyl)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one;cobalt?
The InChIKey is NWCRQERHLJTFCC-AWLASTDMSA-N. The full InChI is InChI=1S/C28H24N2O4.Co/c31-23-13-5-1-9-19(23)17-29-27(21-11-3-7-15-25(21)33)28(22-12-4-8-16-26(22)34)30-18-20-10-2-6-14-24(20)32;/h1-18,27-30,33-34H;/b19-17-,20-18-;.
What are the key properties of (6Z)-6-[[[1,2-bis(2-hydroxyphenyl)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one;cobalt?
(6Z)-6-[[[1,2-bis(2-hydroxyphenyl)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one;cobalt has a molecular weight of 511.44 g/mol, XLogP of 4.21, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[[[1,2-bis(2-hydroxyphenyl)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one;cobalt is sourced from PubChem (CID 11386658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).