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

C46H66N9O5P6S3+3 — CID 88895558

IUPAC[[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]pentan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[2-[4-[(E)-[[1-(4-formylphenoxy)ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl]-sulfanylidenephosphanium
SMILESCCCC(C)(Oc1ccc(/C=N/N(C)[P+](=S)C(C)(CC)Oc2ccc(/C=N/N(C)[P+](=S)C(C)(CC)Oc3ccc(/C=N/N(C)[P+](=S)C(C)Oc4ccc(C=O)cc4)cc3)cc2)cc1)P(N)P(N)PN
InChIInChI=1S/C46H66N9O5P6S3/c1-11-30-46(7,63(48)66(49)61-47)60-43-28-18-38(19-29-43)33-52-55(10)65(69)45(6,13-3)59-42-26-16-37(17-27-42)32-51-54(9)64(68)44(5,12-2)58-41-24-14-36(15-25-41)31-50-53(8)62(67)35(4)57-40-22-20-39(34-56)21-23-40/h14-29,31-35,61H,11-13,30,47-49H2,1-10H3/q+3/b50-31+,51-32+,52-33+
InChIKeyLREQXQUPWNRBJZ-XVXRAXOJSA-N
MW1107.14 g/mol
LogP12.70
Rot. Bonds28

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

[[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]pentan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[2-[4-[(E)-[[1-(4-formylphenoxy)ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl]-sulfanylidenephosphanium (PubChem CID 88895558) has the molecular formula C46H66N9O5P6S3+3 and a molecular weight of 1107.14 g/mol. Its IUPAC name is [[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]pentan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[2-[4-[(E)-[[1-(4-formylphenoxy)ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl]-sulfanylidenephosphanium.

Molecular Properties

Compound Name[[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]pentan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[2-[4-[(E)-[[1-(4-formylphenoxy)ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl]-sulfanylidenephosphanium
PubChem CID88895558
Molecular FormulaC46H66N9O5P6S3+3
Molecular Weight1107.14 g/mol
Exact Mass1106.28
IUPAC Name[[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]pentan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[2-[4-[(E)-[[1-(4-formylphenoxy)ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl]-sulfanylidenephosphanium
SMILESCCCC(C)(Oc1ccc(/C=N/N(C)[P+](=S)C(C)(CC)Oc2ccc(/C=N/N(C)[P+](=S)C(C)(CC)Oc3ccc(/C=N/N(C)[P+](=S)C(C)Oc4ccc(C=O)cc4)cc3)cc2)cc1)P(N)P(N)PN
InChIInChI=1S/C46H66N9O5P6S3/c1-11-30-46(7,63(48)66(49)61-47)60-43-28-18-38(19-29-43)33-52-55(10)65(69)45(6,13-3)59-42-26-16-37(17-27-42)32-51-54(9)64(68)44(5,12-2)58-41-24-14-36(15-25-41)31-50-53(8)62(67)35(4)57-40-22-20-39(34-56)21-23-40/h14-29,31-35,61H,11-13,30,47-49H2,1-10H3/q+3/b50-31+,51-32+,52-33+
InChIKeyLREQXQUPWNRBJZ-XVXRAXOJSA-N
XLogP12.70
TPSA178.85 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds28
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001107.14
LogP ≤ 512.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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]pentan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[2-[4-[(E)-[[1-(4-formylphenoxy)ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-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]pentan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[2-[4-[(E)-[[1-(4-formylphenoxy)ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl]-sulfanylidenephosphanium?
The IUPAC name of [[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]pentan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[2-[4-[(E)-[[1-(4-formylphenoxy)ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl]-sulfanylidenephosphanium (CID 88895558) is [[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]pentan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[2-[4-[(E)-[[1-(4-formylphenoxy)ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl]-sulfanylidenephosphanium.
What is the SMILES notation for [[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]pentan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[2-[4-[(E)-[[1-(4-formylphenoxy)ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl]-sulfanylidenephosphanium?
The canonical SMILES for [[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]pentan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[2-[4-[(E)-[[1-(4-formylphenoxy)ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl]-sulfanylidenephosphanium is CCCC(C)(Oc1ccc(/C=N/N(C)[P+](=S)C(C)(CC)Oc2ccc(/C=N/N(C)[P+](=S)C(C)(CC)Oc3ccc(/C=N/N(C)[P+](=S)C(C)Oc4ccc(C=O)cc4)cc3)cc2)cc1)P(N)P(N)PN.
What is the InChIKey of [[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]pentan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[2-[4-[(E)-[[1-(4-formylphenoxy)ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl]-sulfanylidenephosphanium?
The InChIKey is LREQXQUPWNRBJZ-XVXRAXOJSA-N. The full InChI is InChI=1S/C46H66N9O5P6S3/c1-11-30-46(7,63(48)66(49)61-47)60-43-28-18-38(19-29-43)33-52-55(10)65(69)45(6,13-3)59-42-26-16-37(17-27-42)32-51-54(9)64(68)44(5,12-2)58-41-24-14-36(15-25-41)31-50-53(8)62(67)35(4)57-40-22-20-39(34-56)21-23-40/h14-29,31-35,61H,11-13,30,47-49H2,1-10H3/q+3/b50-31+,51-32+,52-33+.
What are the key properties of [[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]pentan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[2-[4-[(E)-[[1-(4-formylphenoxy)ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl]-sulfanylidenephosphanium?
[[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]pentan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[2-[4-[(E)-[[1-(4-formylphenoxy)ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl]-sulfanylidenephosphanium has a molecular weight of 1107.14 g/mol, XLogP of 12.70, 28 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]pentan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[2-[4-[(E)-[[1-(4-formylphenoxy)ethyl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]butan-2-yl]-sulfanylidenephosphanium is sourced from PubChem (CID 88895558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).