[[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]hexan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[1-[4-[(E)-[dichlorophosphinothioyl(methyl)hydrazinylidene]methyl]phenoxy]ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium

C37H57Cl2N9O3P6S3+2 — CID 88895580

IUPAC[[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]hexan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[1-[4-[(E)-[dichlorophosphinothioyl(methyl)hydrazinylidene]methyl]phenoxy]ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium
SMILESCCCCC(C)(Oc1ccc(/C=N/N(C)[P+](=S)C(C)(CCC)Oc2ccc(/C=N/N(C)[P+](=S)C(C)Oc3ccc(/C=N/N(C)P(=S)(Cl)Cl)cc3)cc2)cc1)P(N)P(N)PN
InChIInChI=1S/C37H57Cl2N9O3P6S3/c1-9-11-25-36(4,54(41)56(42)52-40)50-34-20-14-31(15-21-34)27-44-47(7)55(59)37(5,24-10-2)51-35-22-16-30(17-23-35)26-43-46(6)53(58)29(3)49-33-18-12-32(13-19-33)28-45-48(8)57(38,39)60/h12-23,26-29,52H,9-11,24-25,40-42H2,1-8H3/q+2/b43-26+,44-27+,45-28+
InChIKeyXACAZJMUHGYJDM-KYPYCSCMSA-N
MW1028.87 g/mol
LogP12.30
Rot. Bonds25

About [[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]hexan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[1-[4-[(E)-[dichlorophosphinothioyl(methyl)hydrazinylidene]methyl]phenoxy]ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium

[[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]hexan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[1-[4-[(E)-[dichlorophosphinothioyl(methyl)hydrazinylidene]methyl]phenoxy]ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium (PubChem CID 88895580) has the molecular formula C37H57Cl2N9O3P6S3+2 and a molecular weight of 1028.87 g/mol. Its IUPAC name is [[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]hexan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[1-[4-[(E)-[dichlorophosphinothioyl(methyl)hydrazinylidene]methyl]phenoxy]ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium.

Molecular Properties

Compound Name[[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]hexan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[1-[4-[(E)-[dichlorophosphinothioyl(methyl)hydrazinylidene]methyl]phenoxy]ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium
PubChem CID88895580
Molecular FormulaC37H57Cl2N9O3P6S3+2
Molecular Weight1028.87 g/mol
Exact Mass1027.15
IUPAC Name[[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]hexan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[1-[4-[(E)-[dichlorophosphinothioyl(methyl)hydrazinylidene]methyl]phenoxy]ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium
SMILESCCCCC(C)(Oc1ccc(/C=N/N(C)[P+](=S)C(C)(CCC)Oc2ccc(/C=N/N(C)[P+](=S)C(C)Oc3ccc(/C=N/N(C)P(=S)(Cl)Cl)cc3)cc2)cc1)P(N)P(N)PN
InChIInChI=1S/C37H57Cl2N9O3P6S3/c1-9-11-25-36(4,54(41)56(42)52-40)50-34-20-14-31(15-21-34)27-44-47(7)55(59)37(5,24-10-2)51-35-22-16-30(17-23-35)26-43-46(6)53(58)29(3)49-33-18-12-32(13-19-33)28-45-48(8)57(38,39)60/h12-23,26-29,52H,9-11,24-25,40-42H2,1-8H3/q+2/b43-26+,44-27+,45-28+
InChIKeyXACAZJMUHGYJDM-KYPYCSCMSA-N
XLogP12.30
TPSA152.55 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds25
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001028.87
LogP ≤ 512.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]hexan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[1-[4-[(E)-[dichlorophosphinothioyl(methyl)hydrazinylidene]methyl]phenoxy]ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of [[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]hexan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[1-[4-[(E)-[dichlorophosphinothioyl(methyl)hydrazinylidene]methyl]phenoxy]ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium?
The IUPAC name of [[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]hexan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[1-[4-[(E)-[dichlorophosphinothioyl(methyl)hydrazinylidene]methyl]phenoxy]ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium (CID 88895580) is [[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]hexan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[1-[4-[(E)-[dichlorophosphinothioyl(methyl)hydrazinylidene]methyl]phenoxy]ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium.
What is the SMILES notation for [[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]hexan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[1-[4-[(E)-[dichlorophosphinothioyl(methyl)hydrazinylidene]methyl]phenoxy]ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium?
The canonical SMILES for [[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]hexan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[1-[4-[(E)-[dichlorophosphinothioyl(methyl)hydrazinylidene]methyl]phenoxy]ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium is CCCCC(C)(Oc1ccc(/C=N/N(C)[P+](=S)C(C)(CCC)Oc2ccc(/C=N/N(C)[P+](=S)C(C)Oc3ccc(/C=N/N(C)P(=S)(Cl)Cl)cc3)cc2)cc1)P(N)P(N)PN.
What is the InChIKey of [[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]hexan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[1-[4-[(E)-[dichlorophosphinothioyl(methyl)hydrazinylidene]methyl]phenoxy]ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium?
The InChIKey is XACAZJMUHGYJDM-KYPYCSCMSA-N. The full InChI is InChI=1S/C37H57Cl2N9O3P6S3/c1-9-11-25-36(4,54(41)56(42)52-40)50-34-20-14-31(15-21-34)27-44-47(7)55(59)37(5,24-10-2)51-35-22-16-30(17-23-35)26-43-46(6)53(58)29(3)49-33-18-12-32(13-19-33)28-45-48(8)57(38,39)60/h12-23,26-29,52H,9-11,24-25,40-42H2,1-8H3/q+2/b43-26+,44-27+,45-28+.
What are the key properties of [[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]hexan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[1-[4-[(E)-[dichlorophosphinothioyl(methyl)hydrazinylidene]methyl]phenoxy]ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium?
[[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]hexan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[1-[4-[(E)-[dichlorophosphinothioyl(methyl)hydrazinylidene]methyl]phenoxy]ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium has a molecular weight of 1028.87 g/mol, XLogP of 12.30, 25 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]hexan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[1-[4-[(E)-[dichlorophosphinothioyl(methyl)hydrazinylidene]methyl]phenoxy]ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium is sourced from PubChem (CID 88895580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).