(6Z)-6-[[2-[bis[2-[[(Z)-(5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]ethylamino]methylidene]-2-methylcyclohexa-2,4-dien-1-one;tris(yttrium)

C30H33N4O3Y3-3 — CID 58747588

About (6Z)-6-[[2-[bis[2-[[(Z)-(5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]ethylamino]methylidene]-2-methylcyclohexa-2,4-dien-1-one;tris(yttrium)

(6Z)-6-[[2-[bis[2-[[(Z)-(5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]ethylamino]methylidene]-2-methylcyclohexa-2,4-dien-1-one;tris(yttrium) (PubChem CID 58747588) has the molecular formula C30H33N4O3Y3-3 and a molecular weight of 764.34 g/mol. Its IUPAC name is (6Z)-6-[[2-[bis[2-[[(Z)-(5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]ethylamino]methylidene]-2-methylcyclohexa-2,4-dien-1-one;tris(yttrium).

Molecular Properties

• Compound Name: (6Z)-6-[[2-[bis[2-[[(Z)-(5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]ethylamino]methylidene]-2-methylcyclohexa-2,4-dien-1-one;tris(yttrium)
• PubChem CID: 58747588
• Molecular Formula: C30H33N4O3Y3-3
• Molecular Weight: 764.34 g/mol
• Exact Mass: 763.97
• IUPAC Name: (6Z)-6-[[2-[bis[2-[[(Z)-(5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]ethylamino]methylidene]-2-methylcyclohexa-2,4-dien-1-one;tris(yttrium)
• SMILES: CC1=C[C-]=C/C(=C/NCCN(CCN/C=C2/C=[C-]C=C(C)C2=O)CCN/C=C2/C=[C-]C=C(C)C2=O)C1=O.[Y].[Y].[Y]
• InChI: InChI=1S/C30H33N4O3.3Y/c1-22-7-4-10-25(28(22)35)19-31-13-16-34(17-14-32-20-26-11-5-8-23(2)29(26)36)18-15-33-21-27-12-6-9-24(3)30(27)37;;;/h7-12,19-21,31-33H,13-18H2,1-3H3;;;/q-3;;;/b25-19-,26-20-,27-21-
• InChIKey: ASHJHIMIRZNQPT-UMVMPNKNSA-N
• XLogP: 2.37
• TPSA: 90.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	764.34
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[[2-[bis[2-[[(Z)-(5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]ethylamino]methylidene]-2-methylcyclohexa-2,4-dien-1-one;tris(yttrium)?

The IUPAC name of (6Z)-6-[[2-[bis[2-[[(Z)-(5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]ethylamino]methylidene]-2-methylcyclohexa-2,4-dien-1-one;tris(yttrium) (CID 58747588) is (6Z)-6-[[2-[bis[2-[[(Z)-(5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]ethylamino]methylidene]-2-methylcyclohexa-2,4-dien-1-one;tris(yttrium).

What is the SMILES notation for (6Z)-6-[[2-[bis[2-[[(Z)-(5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]ethylamino]methylidene]-2-methylcyclohexa-2,4-dien-1-one;tris(yttrium)?

The canonical SMILES for (6Z)-6-[[2-[bis[2-[[(Z)-(5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]ethylamino]methylidene]-2-methylcyclohexa-2,4-dien-1-one;tris(yttrium) is CC1=C[C-]=C/C(=C/NCCN(CCN/C=C2/C=[C-]C=C(C)C2=O)CCN/C=C2/C=[C-]C=C(C)C2=O)C1=O.[Y].[Y].[Y].

What is the InChIKey of (6Z)-6-[[2-[bis[2-[[(Z)-(5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]ethylamino]methylidene]-2-methylcyclohexa-2,4-dien-1-one;tris(yttrium)?

The InChIKey is ASHJHIMIRZNQPT-UMVMPNKNSA-N. The full InChI is InChI=1S/C30H33N4O3.3Y/c1-22-7-4-10-25(28(22)35)19-31-13-16-34(17-14-32-20-26-11-5-8-23(2)29(26)36)18-15-33-21-27-12-6-9-24(3)30(27)37;;;/h7-12,19-21,31-33H,13-18H2,1-3H3;;;/q-3;;;/b25-19-,26-20-,27-21-;;;.

What are the key properties of (6Z)-6-[[2-[bis[2-[[(Z)-(5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]ethylamino]methylidene]-2-methylcyclohexa-2,4-dien-1-one;tris(yttrium)?

(6Z)-6-[[2-[bis[2-[[(Z)-(5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]ethylamino]methylidene]-2-methylcyclohexa-2,4-dien-1-one;tris(yttrium) has a molecular weight of 764.34 g/mol, XLogP of 2.37, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6Z)-6-[[2-[bis[2-[[(Z)-(5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]ethylamino]methylidene]-2-methylcyclohexa-2,4-dien-1-one;tris(yttrium) is sourced from PubChem (CID 58747588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).