(6Z)-2,4-dibromo-6-[[[(1S,2S)-2-[[(Z)-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;manganese;hexafluorophosphate

C20H18Br4F6MnN2O2P- — CID 11239865

IUPAC(6Z)-2,4-dibromo-6-[[[(1S,2S)-2-[[(Z)-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;manganese;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.O=C1C(Br)=CC(Br)=C/C1=C/N[C@H]1CCCC[C@@H]1N/C=C1/C=C(Br)C=C(Br)C1=O.[Mn]
InChIInChI=1S/C20H18Br4N2O2.F6P.Mn/c21-13-5-11(19(27)15(23)7-13)9-25-17-3-1-2-4-18(17)26-10-12-6-14(22)8-16(24)20(12)28;1-7(2,3,4,5)6;/h5-10,17-18,25-26H,1-4H2;;/q;-1;/b11-9-,12-10-;;/t17-,18-;;/m0../s1
InChIKeyKQTDCUZGEXQEHS-FWQQTTNESA-N
MW837.89 g/mol
LogP8.91
Rot. Bonds4

About (6Z)-2,4-dibromo-6-[[[(1S,2S)-2-[[(Z)-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;manganese;hexafluorophosphate

(6Z)-2,4-dibromo-6-[[[(1S,2S)-2-[[(Z)-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;manganese;hexafluorophosphate (PubChem CID 11239865) has the molecular formula C20H18Br4F6MnN2O2P- and a molecular weight of 837.89 g/mol. Its IUPAC name is (6Z)-2,4-dibromo-6-[[[(1S,2S)-2-[[(Z)-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;manganese;hexafluorophosphate.

Molecular Properties

Compound Name(6Z)-2,4-dibromo-6-[[[(1S,2S)-2-[[(Z)-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;manganese;hexafluorophosphate
PubChem CID11239865
Molecular FormulaC20H18Br4F6MnN2O2P-
Molecular Weight837.89 g/mol
Exact Mass833.71
IUPAC Name(6Z)-2,4-dibromo-6-[[[(1S,2S)-2-[[(Z)-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;manganese;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.O=C1C(Br)=CC(Br)=C/C1=C/N[C@H]1CCCC[C@@H]1N/C=C1/C=C(Br)C=C(Br)C1=O.[Mn]
InChIInChI=1S/C20H18Br4N2O2.F6P.Mn/c21-13-5-11(19(27)15(23)7-13)9-25-17-3-1-2-4-18(17)26-10-12-6-14(22)8-16(24)20(12)28;1-7(2,3,4,5)6;/h5-10,17-18,25-26H,1-4H2;;/q;-1;/b11-9-,12-10-;;/t17-,18-;;/m0../s1
InChIKeyKQTDCUZGEXQEHS-FWQQTTNESA-N
XLogP8.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.89
LogP ≤ 58.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6Z)-2,4-dibromo-6-[[[(1S,2S)-2-[[(Z)-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;manganese;hexafluorophosphate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6Z)-2,4-dibromo-6-[[[(1S,2S)-2-[[(Z)-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;manganese;hexafluorophosphate?
The IUPAC name of (6Z)-2,4-dibromo-6-[[[(1S,2S)-2-[[(Z)-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;manganese;hexafluorophosphate (CID 11239865) is (6Z)-2,4-dibromo-6-[[[(1S,2S)-2-[[(Z)-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;manganese;hexafluorophosphate.
What is the SMILES notation for (6Z)-2,4-dibromo-6-[[[(1S,2S)-2-[[(Z)-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;manganese;hexafluorophosphate?
The canonical SMILES for (6Z)-2,4-dibromo-6-[[[(1S,2S)-2-[[(Z)-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;manganese;hexafluorophosphate is F[P-](F)(F)(F)(F)F.O=C1C(Br)=CC(Br)=C/C1=C/N[C@H]1CCCC[C@@H]1N/C=C1/C=C(Br)C=C(Br)C1=O.[Mn].
What is the InChIKey of (6Z)-2,4-dibromo-6-[[[(1S,2S)-2-[[(Z)-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;manganese;hexafluorophosphate?
The InChIKey is KQTDCUZGEXQEHS-FWQQTTNESA-N. The full InChI is InChI=1S/C20H18Br4N2O2.F6P.Mn/c21-13-5-11(19(27)15(23)7-13)9-25-17-3-1-2-4-18(17)26-10-12-6-14(22)8-16(24)20(12)28;1-7(2,3,4,5)6;/h5-10,17-18,25-26H,1-4H2;;/q;-1;/b11-9-,12-10-;;/t17-,18-;;/m0../s1.
What are the key properties of (6Z)-2,4-dibromo-6-[[[(1S,2S)-2-[[(Z)-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;manganese;hexafluorophosphate?
(6Z)-2,4-dibromo-6-[[[(1S,2S)-2-[[(Z)-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;manganese;hexafluorophosphate has a molecular weight of 837.89 g/mol, XLogP of 8.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2,4-dibromo-6-[[[(1S,2S)-2-[[(Z)-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;manganese;hexafluorophosphate is sourced from PubChem (CID 11239865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).