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)

C84H140Cl8Mn4N20 — CID 161374572

IUPACtetrakis(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)
SMILESCl[Mn]Cl.Cl[Mn]Cl.Cl[Mn]Cl.Cl[Mn]Cl.c1cc2nc(c1)CN[C@H]1CCCC[C@@H]1NCCN[C@H]1CCCC[C@@H]1NC2.c1cc2nc(c1)CN[C@H]1CCCC[C@@H]1NCCN[C@H]1CCCC[C@@H]1NC2.c1cc2nc(c1)CN[C@H]1CCCC[C@@H]1NCCN[C@H]1CCCC[C@@H]1NC2.c1cc2nc(c1)CN[C@H]1CCCC[C@@H]1NCCN[C@H]1CCCC[C@@H]1NC2
InChIInChI=1S/4C21H35N5.8ClH.4Mn/c4*1-3-10-20-18(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;;;;;;;;;;;;/h4*5-7,18-25H,1-4,8-15H2;8*1H;;;;/q;;;;;;;;;;;;4*+2/p-8/t4*18-,19-,20-,21-;;;;;;;;;;;;/m0000............/s1
InChIKeyVQXDJEMYKNQYQU-ITAQVWNPSA-F
MW1933.56 g/mol
LogP13.81
Rot. Bonds

About 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)

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) (PubChem CID 161374572) has the molecular formula C84H140Cl8Mn4N20 and a molecular weight of 1933.56 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Nametetrakis(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)
PubChem CID161374572
Molecular FormulaC84H140Cl8Mn4N20
Molecular Weight1933.56 g/mol
Exact Mass1928.66
IUPAC Nametetrakis(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)
SMILESCl[Mn]Cl.Cl[Mn]Cl.Cl[Mn]Cl.Cl[Mn]Cl.c1cc2nc(c1)CN[C@H]1CCCC[C@@H]1NCCN[C@H]1CCCC[C@@H]1NC2.c1cc2nc(c1)CN[C@H]1CCCC[C@@H]1NCCN[C@H]1CCCC[C@@H]1NC2.c1cc2nc(c1)CN[C@H]1CCCC[C@@H]1NCCN[C@H]1CCCC[C@@H]1NC2.c1cc2nc(c1)CN[C@H]1CCCC[C@@H]1NCCN[C@H]1CCCC[C@@H]1NC2
InChIInChI=1S/4C21H35N5.8ClH.4Mn/c4*1-3-10-20-18(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;;;;;;;;;;;;/h4*5-7,18-25H,1-4,8-15H2;8*1H;;;;/q;;;;;;;;;;;;4*+2/p-8/t4*18-,19-,20-,21-;;;;;;;;;;;;/m0000............/s1
InChIKeyVQXDJEMYKNQYQU-ITAQVWNPSA-F
XLogP13.81
TPSA244.04 Ų
H-Bond Donors16
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001933.56
LogP ≤ 513.81
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1020

Analyze 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) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(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
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
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
(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
(4S,9S,19S,24R,34S,39S,49R,54S)-3,10,18,25,33,40,48,55,61,62,63,64-dodecazanonacyclo[55.3.1.112,16.127,31.142,46.04,9.019,24.034,39.049,54]tetrahexaconta-1(61),12(64),13,15,27(63),28,30,42,44,46(62),57,59-dodecaene
CID 24939617
(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
(4R,9R,15R,20R)-11-ethyl-3,10,14,21,27-pentazatetracyclo[21.3.1.04,9.015,20]heptacosa-1(26),23(27),24-triene
CID 162483903
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
(4R,9R,14R,19R)-24-tert-butylsulfanyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(25),22(26),23-triene;dichloromanganese
CID 59867680
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

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is Cl[Mn]Cl.Cl[Mn]Cl.Cl[Mn]Cl.Cl[Mn]Cl.c1cc2nc(c1)CN[C@H]1CCCC[C@@H]1NCCN[C@H]1CCCC[C@@H]1NC2.c1cc2nc(c1)CN[C@H]1CCCC[C@@H]1NCCN[C@H]1CCCC[C@@H]1NC2.c1cc2nc(c1)CN[C@H]1CCCC[C@@H]1NCCN[C@H]1CCCC[C@@H]1NC2.c1cc2nc(c1)CN[C@H]1CCCC[C@@H]1NCCN[C@H]1CCCC[C@@H]1NC2.
What is the InChIKey of 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)?
The InChIKey is VQXDJEMYKNQYQU-ITAQVWNPSA-F. The full InChI is InChI=1S/4C21H35N5.8ClH.4Mn/c4*1-3-10-20-18(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;;;;;;;;;;;;/h4*5-7,18-25H,1-4,8-15H2;8*1H;;;;/q;;;;;;;;;;;;4*+2/p-8/t4*18-,19-,20-,21-;;;;;;;;;;;;/m0000............/s1.
What are the key properties of 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)?
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) has a molecular weight of 1933.56 g/mol, XLogP of 13.81, 0 rotatable bonds, 16 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 161374572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).