azanylidynemanganese;(6Z)-2-bromo-6-[[[(1R,2R)-2-[[(Z)-(5-bromo-3-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]-4-tert-butylcyclohexa-2,4-dien-1-one

C28H36Br2MnN3O2 — CID 10532369

About azanylidynemanganese;(6Z)-2-bromo-6-[[[(1R,2R)-2-[[(Z)-(5-bromo-3-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]-4-tert-butylcyclohexa-2,4-dien-1-one

azanylidynemanganese;(6Z)-2-bromo-6-[[[(1R,2R)-2-[[(Z)-(5-bromo-3-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]-4-tert-butylcyclohexa-2,4-dien-1-one (PubChem CID 10532369) has the molecular formula C28H36Br2MnN3O2 and a molecular weight of 661.36 g/mol. Its IUPAC name is azanylidynemanganese;(6Z)-2-bromo-6-[[[(1R,2R)-2-[[(Z)-(5-bromo-3-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]-4-tert-butylcyclohexa-2,4-dien-1-one.

Molecular Properties

• Compound Name: azanylidynemanganese;(6Z)-2-bromo-6-[[[(1R,2R)-2-[[(Z)-(5-bromo-3-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]-4-tert-butylcyclohexa-2,4-dien-1-one
• PubChem CID: 10532369
• Molecular Formula: C28H36Br2MnN3O2
• Molecular Weight: 661.36 g/mol
• Exact Mass: 659.06
• IUPAC Name: azanylidynemanganese;(6Z)-2-bromo-6-[[[(1R,2R)-2-[[(Z)-(5-bromo-3-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]-4-tert-butylcyclohexa-2,4-dien-1-one
• SMILES: CC(C)(C)C1=C/C(=C/N[C@@H]2CCCC[C@H]2N/C=C2/C=C(C(C)(C)C)C=C(Br)C2=O)C(=O)C(Br)=C1.N#[Mn]
• InChI: InChI=1S/C28H36Br2N2O2.Mn.N/c1-27(2,3)19-11-17(25(33)21(29)13-19)15-31-23-9-7-8-10-24(23)32-16-18-12-20(28(4,5)6)14-22(30)26(18)34;;/h11-16,23-24,31-32H,7-10H2,1-6H3;;/b17-15-,18-16-;;/t23-,24-;;/m1../s1
• InChIKey: DPDAQCMIIMVUIX-BIKLVGTKSA-N
• XLogP: 6.93
• TPSA: 81.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.36
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azanylidynemanganese;(6Z)-2-bromo-6-[[[(1R,2R)-2-[[(Z)-(5-bromo-3-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]-4-tert-butylcyclohexa-2,4-dien-1-one?

The IUPAC name of azanylidynemanganese;(6Z)-2-bromo-6-[[[(1R,2R)-2-[[(Z)-(5-bromo-3-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]-4-tert-butylcyclohexa-2,4-dien-1-one (CID 10532369) is azanylidynemanganese;(6Z)-2-bromo-6-[[[(1R,2R)-2-[[(Z)-(5-bromo-3-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]-4-tert-butylcyclohexa-2,4-dien-1-one.

What is the SMILES notation for azanylidynemanganese;(6Z)-2-bromo-6-[[[(1R,2R)-2-[[(Z)-(5-bromo-3-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]-4-tert-butylcyclohexa-2,4-dien-1-one?

The canonical SMILES for azanylidynemanganese;(6Z)-2-bromo-6-[[[(1R,2R)-2-[[(Z)-(5-bromo-3-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]-4-tert-butylcyclohexa-2,4-dien-1-one is CC(C)(C)C1=C/C(=C/N[C@@H]2CCCC[C@H]2N/C=C2/C=C(C(C)(C)C)C=C(Br)C2=O)C(=O)C(Br)=C1.N#[Mn].

What is the InChIKey of azanylidynemanganese;(6Z)-2-bromo-6-[[[(1R,2R)-2-[[(Z)-(5-bromo-3-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]-4-tert-butylcyclohexa-2,4-dien-1-one?

The InChIKey is DPDAQCMIIMVUIX-BIKLVGTKSA-N. The full InChI is InChI=1S/C28H36Br2N2O2.Mn.N/c1-27(2,3)19-11-17(25(33)21(29)13-19)15-31-23-9-7-8-10-24(23)32-16-18-12-20(28(4,5)6)14-22(30)26(18)34;;/h11-16,23-24,31-32H,7-10H2,1-6H3;;/b17-15-,18-16-;;/t23-,24-;;/m1../s1.

What are the key properties of azanylidynemanganese;(6Z)-2-bromo-6-[[[(1R,2R)-2-[[(Z)-(5-bromo-3-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]-4-tert-butylcyclohexa-2,4-dien-1-one?

azanylidynemanganese;(6Z)-2-bromo-6-[[[(1R,2R)-2-[[(Z)-(5-bromo-3-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]-4-tert-butylcyclohexa-2,4-dien-1-one has a molecular weight of 661.36 g/mol, XLogP of 6.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for azanylidynemanganese;(6Z)-2-bromo-6-[[[(1R,2R)-2-[[(Z)-(5-bromo-3-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]-4-tert-butylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 10532369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).