tetrakis(dichloromanganese);14,14-dimethyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(14R)-14-methyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(4S,7S,10S)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane

C74H154Cl8Mn4N20 — CID 162302983

IUPACtetrakis(dichloromanganese);14,14-dimethyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(14R)-14-methyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(4S,7S,10S)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane
SMILESC1CCC2NCCNC3CCCCC3NCCNCCNC2C1.CC1(C)CNC2CCCCC2NCCNC2CCCCC2NCCN1.C[C@@H]1CNC2CCCCC2NCCNC2CCCCC2NCCN1.C[C@H]1CNC2CCCCC2NCCN[C@@H](C)CN[C@@H](C)CN1.Cl[Mn]Cl.Cl[Mn]Cl.Cl[Mn]Cl.Cl[Mn]Cl
InChIInChI=1S/C20H41N5.C19H39N5.C18H37N5.C17H37N5.8ClH.4Mn/c1-20(2)15-24-19-10-6-5-9-18(19)22-12-11-21-16-7-3-4-8-17(16)23-13-14-25-20;1-15-14-24-19-9-5-4-8-18(19)23-13-12-22-17-7-3-2-6-16(17)21-11-10-20-15;1-3-7-17-15(5-1)20-11-9-19-10-12-21-16-6-2-4-8-18(16)23-14-13-22-17;1-13-10-20-14(2)11-21-15(3)12-22-17-7-5-4-6-16(17)19-9-8-18-13;;;;;;;;;;;;/h16-19,21-25H,3-15H2,1-2H3;15-24H,2-14H2,1H3;15-23H,1-14H2;13-22H,4-12H2,1-3H3;8*1H;;;;/q;;;;;;;;;;;;4*+2/p-8/t;15-,16?,17?,18?,19?;;13-,14-,15-,16?,17?;;;;;;;;;;;;/m.1.0............/s1
InChIKeyWVHSOAADSXBXOJ-SEJNLKMFSA-F
MW1827.56 g/mol
LogP8.81
Rot. Bonds

About tetrakis(dichloromanganese);14,14-dimethyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(14R)-14-methyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(4S,7S,10S)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane

tetrakis(dichloromanganese);14,14-dimethyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(14R)-14-methyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(4S,7S,10S)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane (PubChem CID 162302983) has the molecular formula C74H154Cl8Mn4N20 and a molecular weight of 1827.56 g/mol. Its IUPAC name is tetrakis(dichloromanganese);14,14-dimethyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(14R)-14-methyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(4S,7S,10S)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane.

Molecular Properties

Compound Nametetrakis(dichloromanganese);14,14-dimethyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(14R)-14-methyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(4S,7S,10S)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane
PubChem CID162302983
Molecular FormulaC74H154Cl8Mn4N20
Molecular Weight1827.56 g/mol
Exact Mass1822.77
IUPAC Nametetrakis(dichloromanganese);14,14-dimethyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(14R)-14-methyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(4S,7S,10S)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane
SMILESC1CCC2NCCNC3CCCCC3NCCNCCNC2C1.CC1(C)CNC2CCCCC2NCCNC2CCCCC2NCCN1.C[C@@H]1CNC2CCCCC2NCCNC2CCCCC2NCCN1.C[C@H]1CNC2CCCCC2NCCN[C@@H](C)CN[C@@H](C)CN1.Cl[Mn]Cl.Cl[Mn]Cl.Cl[Mn]Cl.Cl[Mn]Cl
InChIInChI=1S/C20H41N5.C19H39N5.C18H37N5.C17H37N5.8ClH.4Mn/c1-20(2)15-24-19-10-6-5-9-18(19)22-12-11-21-16-7-3-4-8-17(16)23-13-14-25-20;1-15-14-24-19-9-5-4-8-18(19)23-13-12-22-17-7-3-2-6-16(17)21-11-10-20-15;1-3-7-17-15(5-1)20-11-9-19-10-12-21-16-6-2-4-8-18(16)23-14-13-22-17;1-13-10-20-14(2)11-21-15(3)12-22-17-7-5-4-6-16(17)19-9-8-18-13;;;;;;;;;;;;/h16-19,21-25H,3-15H2,1-2H3;15-24H,2-14H2,1H3;15-23H,1-14H2;13-22H,4-12H2,1-3H3;8*1H;;;;/q;;;;;;;;;;;;4*+2/p-8/t;15-,16?,17?,18?,19?;;13-,14-,15-,16?,17?;;;;;;;;;;;;/m.1.0............/s1
InChIKeyWVHSOAADSXBXOJ-SEJNLKMFSA-F
XLogP8.81
TPSA240.60 Ų
H-Bond Donors20
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001827.56
LogP ≤ 58.81
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1020

Analyze tetrakis(dichloromanganese);14,14-dimethyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(14R)-14-methyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(4S,7S,10S)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tetrakis(dichloromanganese);14,14-dimethyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(14R)-14-methyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(4S,7S,10S)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane?
The IUPAC name of tetrakis(dichloromanganese);14,14-dimethyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(14R)-14-methyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(4S,7S,10S)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane (CID 162302983) is tetrakis(dichloromanganese);14,14-dimethyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(14R)-14-methyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(4S,7S,10S)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane.
What is the SMILES notation for tetrakis(dichloromanganese);14,14-dimethyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(14R)-14-methyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(4S,7S,10S)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane?
The canonical SMILES for tetrakis(dichloromanganese);14,14-dimethyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(14R)-14-methyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(4S,7S,10S)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane is C1CCC2NCCNC3CCCCC3NCCNCCNC2C1.CC1(C)CNC2CCCCC2NCCNC2CCCCC2NCCN1.C[C@@H]1CNC2CCCCC2NCCNC2CCCCC2NCCN1.C[C@H]1CNC2CCCCC2NCCN[C@@H](C)CN[C@@H](C)CN1.Cl[Mn]Cl.Cl[Mn]Cl.Cl[Mn]Cl.Cl[Mn]Cl.
What is the InChIKey of tetrakis(dichloromanganese);14,14-dimethyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(14R)-14-methyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(4S,7S,10S)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane?
The InChIKey is WVHSOAADSXBXOJ-SEJNLKMFSA-F. The full InChI is InChI=1S/C20H41N5.C19H39N5.C18H37N5.C17H37N5.8ClH.4Mn/c1-20(2)15-24-19-10-6-5-9-18(19)22-12-11-21-16-7-3-4-8-17(16)23-13-14-25-20;1-15-14-24-19-9-5-4-8-18(19)23-13-12-22-17-7-3-2-6-16(17)21-11-10-20-15;1-3-7-17-15(5-1)20-11-9-19-10-12-21-16-6-2-4-8-18(16)23-14-13-22-17;1-13-10-20-14(2)11-21-15(3)12-22-17-7-5-4-6-16(17)19-9-8-18-13;;;;;;;;;;;;/h16-19,21-25H,3-15H2,1-2H3;15-24H,2-14H2,1H3;15-23H,1-14H2;13-22H,4-12H2,1-3H3;8*1H;;;;/q;;;;;;;;;;;;4*+2/p-8/t;15-,16?,17?,18?,19?;;13-,14-,15-,16?,17?;;;;;;;;;;;;/m.1.0............/s1.
What are the key properties of tetrakis(dichloromanganese);14,14-dimethyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(14R)-14-methyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(4S,7S,10S)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane?
tetrakis(dichloromanganese);14,14-dimethyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(14R)-14-methyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(4S,7S,10S)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane has a molecular weight of 1827.56 g/mol, XLogP of 8.81, 0 rotatable bonds, 20 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dichloromanganese);14,14-dimethyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(14R)-14-methyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;(4S,7S,10S)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane is sourced from PubChem (CID 162302983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).