[[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]pentan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[2-[4-[(E)-2-(2-methoxy-1,3,2-dioxaphosphetan-2-ium-2-yl)ethenyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium

C40H62N7O6P6S2+3 — CID 88895549

About [[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]pentan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[2-[4-[(E)-2-(2-methoxy-1,3,2-dioxaphosphetan-2-ium-2-yl)ethenyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium

[[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]pentan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[2-[4-[(E)-2-(2-methoxy-1,3,2-dioxaphosphetan-2-ium-2-yl)ethenyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium (PubChem CID 88895549) has the molecular formula C40H62N7O6P6S2+3 and a molecular weight of 986.96 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)-2-(2-methoxy-1,3,2-dioxaphosphetan-2-ium-2-yl)ethenyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-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)-2-(2-methoxy-1,3,2-dioxaphosphetan-2-ium-2-yl)ethenyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium
• PubChem CID: 88895549
• Molecular Formula: C40H62N7O6P6S2+3
• Molecular Weight: 986.96 g/mol
• Exact Mass: 986.26
• IUPAC Name: [[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]pentan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[2-[4-[(E)-2-(2-methoxy-1,3,2-dioxaphosphetan-2-ium-2-yl)ethenyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium
• SMILES: CCCC(C)(Oc1ccc(/C=N/N(C)[P+](=S)C(C)(CCC)Oc2ccc(/C=N/N(C)[P+](=S)C(C)(CC)Oc3ccc(/C=C/[P+]4(OC)OCO4)cc3)cc2)cc1)P(N)P(N)PN
• InChI: InChI=1S/C40H62N7O6P6S2/c1-10-26-39(5,55(42)58(43)54-41)52-36-21-15-33(16-22-36)30-45-47(8)57(61)40(6,27-11-2)53-37-23-17-34(18-24-37)29-44-46(7)56(60)38(4,12-3)51-35-19-13-32(14-20-35)25-28-59(48-9)49-31-50-59/h13-25,28-30,54H,10-12,26-27,31,41-43H2,1-9H3/q+3/b28-25+,44-29+,45-30+
• InChIKey: BLMPCRFMKBILAE-HUBIBQASSA-N
• XLogP: 12.11
• TPSA: 164.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 25
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	986.96
LogP ≤ 5	12.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

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'}

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)-2-(2-methoxy-1,3,2-dioxaphosphetan-2-ium-2-yl)ethenyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-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)-2-(2-methoxy-1,3,2-dioxaphosphetan-2-ium-2-yl)ethenyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium (CID 88895549) is [[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]pentan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[2-[4-[(E)-2-(2-methoxy-1,3,2-dioxaphosphetan-2-ium-2-yl)ethenyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-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)-2-(2-methoxy-1,3,2-dioxaphosphetan-2-ium-2-yl)ethenyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-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)-2-(2-methoxy-1,3,2-dioxaphosphetan-2-ium-2-yl)ethenyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium is CCCC(C)(Oc1ccc(/C=N/N(C)[P+](=S)C(C)(CCC)Oc2ccc(/C=N/N(C)[P+](=S)C(C)(CC)Oc3ccc(/C=C/[P+]4(OC)OCO4)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)-2-(2-methoxy-1,3,2-dioxaphosphetan-2-ium-2-yl)ethenyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium?

The InChIKey is BLMPCRFMKBILAE-HUBIBQASSA-N. The full InChI is InChI=1S/C40H62N7O6P6S2/c1-10-26-39(5,55(42)58(43)54-41)52-36-21-15-33(16-22-36)30-45-47(8)57(61)40(6,27-11-2)53-37-23-17-34(18-24-37)29-44-46(7)56(60)38(4,12-3)51-35-19-13-32(14-20-35)25-28-59(48-9)49-31-50-59/h13-25,28-30,54H,10-12,26-27,31,41-43H2,1-9H3/q+3/b28-25+,44-29+,45-30+.

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)-2-(2-methoxy-1,3,2-dioxaphosphetan-2-ium-2-yl)ethenyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium?

[[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]pentan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[2-[4-[(E)-2-(2-methoxy-1,3,2-dioxaphosphetan-2-ium-2-yl)ethenyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium has a molecular weight of 986.96 g/mol, XLogP of 12.11, 25 rotatable bonds, 3 hydrogen bond donors, and 13 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)-2-(2-methoxy-1,3,2-dioxaphosphetan-2-ium-2-yl)ethenyl]phenoxy]butan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium is sourced from PubChem (CID 88895549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).