dichloromanganese;10,13,26-triaza-3,20-diazoniatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene

C21H33Cl2MnN5+2 — CID 59891271

IUPACdichloromanganese;10,13,26-triaza-3,20-diazoniatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene
SMILESC1=[NH+]/C2CCCCC2NCCNC2CCCCC2/[NH+]=C/c2cccc/1n2.Cl[Mn]Cl
InChIInChI=1S/C21H31N5.2ClH.Mn/c1-3-10-20-18(8-1)22-12-13-23-19-9-2-4-11-21(19)25-15-17-7-5-6-16(26-17)14-24-20;;;/h5-7,14-15,18-23H,1-4,8-13H2;2*1H;/q;;;+2/b24-14+,25-15+;;;
InChIKeyKBQSWQNWFJGYLN-YMCUJNOTSA-N
MW481.37 g/mol
LogP0.27
Rot. Bonds

About dichloromanganese;10,13,26-triaza-3,20-diazoniatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene

dichloromanganese;10,13,26-triaza-3,20-diazoniatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene (PubChem CID 59891271) has the molecular formula C21H33Cl2MnN5+2 and a molecular weight of 481.37 g/mol. Its IUPAC name is dichloromanganese;10,13,26-triaza-3,20-diazoniatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene.

Molecular Properties

Compound Namedichloromanganese;10,13,26-triaza-3,20-diazoniatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene
PubChem CID59891271
Molecular FormulaC21H33Cl2MnN5+2
Molecular Weight481.37 g/mol
Exact Mass480.15
IUPAC Namedichloromanganese;10,13,26-triaza-3,20-diazoniatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene
SMILESC1=[NH+]/C2CCCCC2NCCNC2CCCCC2/[NH+]=C/c2cccc/1n2.Cl[Mn]Cl
InChIInChI=1S/C21H31N5.2ClH.Mn/c1-3-10-20-18(8-1)22-12-13-23-19-9-2-4-11-21(19)25-15-17-7-5-6-16(26-17)14-24-20;;;/h5-7,14-15,18-23H,1-4,8-13H2;2*1H;/q;;;+2/b24-14+,25-15+;;;
InChIKeyKBQSWQNWFJGYLN-YMCUJNOTSA-N
XLogP0.27
TPSA64.89 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.37
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze dichloromanganese;10,13,26-triaza-3,20-diazoniatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene with MolForge

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Related Compounds

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
3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene
CID 21338352
(4S,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene
CID 59602778
(14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene
CID 59897822
(4R,9S,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene
CID 162300662
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
carbanide;manganese;(4R,9R,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene
CID 146901665
(1R)-2-N-[2-[[(1S,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;tris((1S)-2-N-[2-[[(1S,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine);(1S)-2-N-[2-[[(1R,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;cis-(1R,2S)-2-N-[2-[[(2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;hexakis(dichloromanganese);(4S,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4R,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;bis((4S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene);(4S,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4S,14R,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;tetracosahydrochloride
CID 162299610
carbanide;manganese;(4S,9S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;yttrium
CID 58292386
(1R)-2-N-[2-[[(1R,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;bis(dichloromanganese);methane;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;pyridine-2,6-dicarbaldehyde
CID 162269844
(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;10,13,26-triaza-3,20-diazoniatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene?
The IUPAC name of dichloromanganese;10,13,26-triaza-3,20-diazoniatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene (CID 59891271) is dichloromanganese;10,13,26-triaza-3,20-diazoniatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene.
What is the SMILES notation for dichloromanganese;10,13,26-triaza-3,20-diazoniatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene?
The canonical SMILES for dichloromanganese;10,13,26-triaza-3,20-diazoniatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene is C1=[NH+]/C2CCCCC2NCCNC2CCCCC2/[NH+]=C/c2cccc/1n2.Cl[Mn]Cl.
What is the InChIKey of dichloromanganese;10,13,26-triaza-3,20-diazoniatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene?
The InChIKey is KBQSWQNWFJGYLN-YMCUJNOTSA-N. The full InChI is InChI=1S/C21H31N5.2ClH.Mn/c1-3-10-20-18(8-1)22-12-13-23-19-9-2-4-11-21(19)25-15-17-7-5-6-16(26-17)14-24-20;;;/h5-7,14-15,18-23H,1-4,8-13H2;2*1H;/q;;;+2/b24-14+,25-15+;;;.
What are the key properties of dichloromanganese;10,13,26-triaza-3,20-diazoniatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene?
dichloromanganese;10,13,26-triaza-3,20-diazoniatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene has a molecular weight of 481.37 g/mol, XLogP of 0.27, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromanganese;10,13,26-triaza-3,20-diazoniatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene is sourced from PubChem (CID 59891271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).