dichloromanganese;(2S,4R,9R,11R,14R,19R,21S)-2,11,21-trimethyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(25),22(26),23-triene

C24H41Cl2MnN5 — CID 164740984

IUPACdichloromanganese;(2S,4R,9R,11R,14R,19R,21S)-2,11,21-trimethyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(25),22(26),23-triene
SMILESC[C@@H]1CN[C@@H]2CCCC[C@H]2N[C@@H](C)c2cccc(n2)[C@H](C)N[C@@H]2CCCC[C@H]2N1.Cl[Mn]Cl
InChIInChI=1S/C24H41N5.2ClH.Mn/c1-16-15-25-21-9-4-5-10-22(21)27-17(2)19-13-8-14-20(29-19)18(3)28-24-12-7-6-11-23(24)26-16;;;/h8,13-14,16-18,21-28H,4-7,9-12,15H2,1-3H3;2*1H;/q;;;+2/p-2/t16-,17+,18+,21-,22-,23-,24-;;;/m1.../s1
InChIKeyULOCDWPFMILTHX-GZNGIUDFSA-L
MW525.47 g/mol
LogP4.96
Rot. Bonds

About dichloromanganese;(2S,4R,9R,11R,14R,19R,21S)-2,11,21-trimethyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(25),22(26),23-triene

dichloromanganese;(2S,4R,9R,11R,14R,19R,21S)-2,11,21-trimethyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(25),22(26),23-triene (PubChem CID 164740984) has the molecular formula C24H41Cl2MnN5 and a molecular weight of 525.47 g/mol. Its IUPAC name is dichloromanganese;(2S,4R,9R,11R,14R,19R,21S)-2,11,21-trimethyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(25),22(26),23-triene.

Molecular Properties

Compound Namedichloromanganese;(2S,4R,9R,11R,14R,19R,21S)-2,11,21-trimethyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(25),22(26),23-triene
PubChem CID164740984
Molecular FormulaC24H41Cl2MnN5
Molecular Weight525.47 g/mol
Exact Mass524.21
IUPAC Namedichloromanganese;(2S,4R,9R,11R,14R,19R,21S)-2,11,21-trimethyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(25),22(26),23-triene
SMILESC[C@@H]1CN[C@@H]2CCCC[C@H]2N[C@@H](C)c2cccc(n2)[C@H](C)N[C@@H]2CCCC[C@H]2N1.Cl[Mn]Cl
InChIInChI=1S/C24H41N5.2ClH.Mn/c1-16-15-25-21-9-4-5-10-22(21)27-17(2)19-13-8-14-20(29-19)18(3)28-24-12-7-6-11-23(24)26-16;;;/h8,13-14,16-18,21-28H,4-7,9-12,15H2,1-3H3;2*1H;/q;;;+2/p-2/t16-,17+,18+,21-,22-,23-,24-;;;/m1.../s1
InChIKeyULOCDWPFMILTHX-GZNGIUDFSA-L
XLogP4.96
TPSA61.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.47
LogP ≤ 54.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze dichloromanganese;(2S,4R,9R,11R,14R,19R,21S)-2,11,21-trimethyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(25),22(26),23-triene with MolForge

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Related Compounds

dichloromanganese;(2S,4S,9S,14S,19S,21S)-2,21-dimethyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene
CID 59867654
dichloromanganese;(2S,4R,9R,14R,19R,21S)-2,21-dimethyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;methane
CID 160828419
(2S,14R,19R,21R)-2,21-dimethyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene
CID 58595835
(2S,9R,19R,21R)-2,21-dimethyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene
CID 59867679
(2S,4aR,8aR)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 24744083
dichloromanganese;(14R)-14-methyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane
CID 59891219
(3aR,7aR)-2-[6-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl]-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole
CID 122398899
tetrakis(dichloromanganese);tetrakis((4S,9S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene)
CID 161374572
(2R,13R)-2,13-dimethyl-3,6,9,12,18-pentazabicyclo[12.3.1]octadeca-1(18),14,16-triene
CID 102076737
1-(6-acetyl-2-pyridinyl)ethanone;2-N-[2-[[(1R,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;bis(dichloromanganese);(4R,9R)-2,21-dimethyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene;(2S,4R,9R,21S)-2,21-dimethyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;tetrahydrochloride
CID 162278062
(1R,4S,12S,15R)-4,12-dimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane
CID 59936349
(4S,9S,19S,24S)-3,10,18,25,31,32-hexazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(31),12(32),13,15,27,29-hexaene
CID 101400439

Frequently Asked Questions

What is the IUPAC name of dichloromanganese;(2S,4R,9R,11R,14R,19R,21S)-2,11,21-trimethyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(25),22(26),23-triene?
The IUPAC name of dichloromanganese;(2S,4R,9R,11R,14R,19R,21S)-2,11,21-trimethyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(25),22(26),23-triene (CID 164740984) is dichloromanganese;(2S,4R,9R,11R,14R,19R,21S)-2,11,21-trimethyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(25),22(26),23-triene.
What is the SMILES notation for dichloromanganese;(2S,4R,9R,11R,14R,19R,21S)-2,11,21-trimethyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(25),22(26),23-triene?
The canonical SMILES for dichloromanganese;(2S,4R,9R,11R,14R,19R,21S)-2,11,21-trimethyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(25),22(26),23-triene is C[C@@H]1CN[C@@H]2CCCC[C@H]2N[C@@H](C)c2cccc(n2)[C@H](C)N[C@@H]2CCCC[C@H]2N1.Cl[Mn]Cl.
What is the InChIKey of dichloromanganese;(2S,4R,9R,11R,14R,19R,21S)-2,11,21-trimethyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(25),22(26),23-triene?
The InChIKey is ULOCDWPFMILTHX-GZNGIUDFSA-L. The full InChI is InChI=1S/C24H41N5.2ClH.Mn/c1-16-15-25-21-9-4-5-10-22(21)27-17(2)19-13-8-14-20(29-19)18(3)28-24-12-7-6-11-23(24)26-16;;;/h8,13-14,16-18,21-28H,4-7,9-12,15H2,1-3H3;2*1H;/q;;;+2/p-2/t16-,17+,18+,21-,22-,23-,24-;;;/m1.../s1.
What are the key properties of dichloromanganese;(2S,4R,9R,11R,14R,19R,21S)-2,11,21-trimethyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(25),22(26),23-triene?
dichloromanganese;(2S,4R,9R,11R,14R,19R,21S)-2,11,21-trimethyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(25),22(26),23-triene has a molecular weight of 525.47 g/mol, XLogP of 4.96, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromanganese;(2S,4R,9R,11R,14R,19R,21S)-2,11,21-trimethyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(25),22(26),23-triene is sourced from PubChem (CID 164740984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).