dichloromanganese;(4S,9S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene

C21H35Cl2MnN5 — CID 23649345

IUPACdichloromanganese;(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.c1cc2nc(c1)CN[C@H]1CCCC[C@@H]1NCCN[C@H]1CCCC[C@@H]1NC2
InChIInChI=1S/C21H35N5.2ClH.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;;;/h5-7,18-25H,1-4,8-15H2;2*1H;/q;;;+2/p-2/t18-,19-,20-,21-;;;/m0.../s1
InChIKeyWXEMWBBXVXHEPU-NDOCQCNASA-L
MW483.39 g/mol
LogP3.45
Rot. Bonds

About dichloromanganese;(4S,9S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene

dichloromanganese;(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 23649345) has the molecular formula C21H35Cl2MnN5 and a molecular weight of 483.39 g/mol. Its IUPAC name is dichloromanganese;(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 Namedichloromanganese;(4S,9S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene
PubChem CID23649345
Molecular FormulaC21H35Cl2MnN5
Molecular Weight483.39 g/mol
Exact Mass482.16
IUPAC Namedichloromanganese;(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.c1cc2nc(c1)CN[C@H]1CCCC[C@@H]1NCCN[C@H]1CCCC[C@@H]1NC2
InChIInChI=1S/C21H35N5.2ClH.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;;;/h5-7,18-25H,1-4,8-15H2;2*1H;/q;;;+2/p-2/t18-,19-,20-,21-;;;/m0.../s1
InChIKeyWXEMWBBXVXHEPU-NDOCQCNASA-L
XLogP3.45
TPSA61.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.39
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze dichloromanganese;(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

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Frequently Asked Questions

What is the IUPAC name of dichloromanganese;(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 dichloromanganese;(4S,9S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene (CID 23649345) is dichloromanganese;(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 dichloromanganese;(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 dichloromanganese;(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.c1cc2nc(c1)CN[C@H]1CCCC[C@@H]1NCCN[C@H]1CCCC[C@@H]1NC2.
What is the InChIKey of dichloromanganese;(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 WXEMWBBXVXHEPU-NDOCQCNASA-L. The full InChI is InChI=1S/C21H35N5.2ClH.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;;;/h5-7,18-25H,1-4,8-15H2;2*1H;/q;;;+2/p-2/t18-,19-,20-,21-;;;/m0.../s1.
What are the key properties of dichloromanganese;(4S,9S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene?
dichloromanganese;(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 483.39 g/mol, XLogP of 3.45, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromanganese;(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 23649345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).