[[[4-[[[(4-azidooxyphenyl)methylideneamino]-methylamino]methoxy]phenyl]-diphenyl-λ5-phosphanylidene]amino]-[4-[[[[4-[2-[bis(dimethoxyphosphorylmethyl)amino]ethyl]phenoxy]-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium

C49H56N9O10P5S2+2 — CID 158324030

About [[[4-[[[(4-azidooxyphenyl)methylideneamino]-methylamino]methoxy]phenyl]-diphenyl-λ5-phosphanylidene]amino]-[4-[[[[4-[2-[bis(dimethoxyphosphorylmethyl)amino]ethyl]phenoxy]-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium

[[[4-[[[(4-azidooxyphenyl)methylideneamino]-methylamino]methoxy]phenyl]-diphenyl-λ5-phosphanylidene]amino]-[4-[[[[4-[2-[bis(dimethoxyphosphorylmethyl)amino]ethyl]phenoxy]-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium (PubChem CID 158324030) has the molecular formula C49H56N9O10P5S2+2 and a molecular weight of 1150.04 g/mol. Its IUPAC name is [[[4-[[[(4-azidooxyphenyl)methylideneamino]-methylamino]methoxy]phenyl]-diphenyl-λ5-phosphanylidene]amino]-[4-[[[[4-[2-[bis(dimethoxyphosphorylmethyl)amino]ethyl]phenoxy]-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium.

Molecular Properties

• Compound Name: [[[4-[[[(4-azidooxyphenyl)methylideneamino]-methylamino]methoxy]phenyl]-diphenyl-λ5-phosphanylidene]amino]-[4-[[[[4-[2-[bis(dimethoxyphosphorylmethyl)amino]ethyl]phenoxy]-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium
• PubChem CID: 158324030
• Molecular Formula: C49H56N9O10P5S2+2
• Molecular Weight: 1150.04 g/mol
• Exact Mass: 1149.23
• IUPAC Name: [[[4-[[[(4-azidooxyphenyl)methylideneamino]-methylamino]methoxy]phenyl]-diphenyl-λ5-phosphanylidene]amino]-[4-[[[[4-[2-[bis(dimethoxyphosphorylmethyl)amino]ethyl]phenoxy]-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium
• SMILES: COP(=O)(CN(CCc1ccc(O[P+](=S)N(C)N=Cc2ccc(O[P+](=S)N=P(c3ccccc3)(c3ccccc3)c3ccc(OCN(C)N=Cc4ccc(ON=[N+]=[N-])cc4)cc3)cc2)cc1)CP(=O)(OC)OC)OC
• InChI: InChI=1S/C49H56N9O10P5S2/c1-56(51-35-41-19-23-44(24-20-41)66-54-53-50)37-65-43-29-31-49(32-30-43)73(47-13-9-7-10-14-47,48-15-11-8-12-16-48)55-69(74)67-45-27-21-42(22-28-45)36-52-57(2)70(75)68-46-25-17-40(18-26-46)33-34-58(38-71(59,61-3)62-4)39-72(60,63-5)64-6/h7-32,35-36H,33-34,37-39H2,1-6H3/q+2
• InChIKey: LLYCJAXJRFNAPO-UHFFFAOYSA-N
• XLogP: 11.77
• TPSA: 203.54 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 29
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1150.04
LogP ≤ 5	11.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [[[4-[[[(4-azidooxyphenyl)methylideneamino]-methylamino]methoxy]phenyl]-diphenyl-λ5-phosphanylidene]amino]-[4-[[[[4-[2-[bis(dimethoxyphosphorylmethyl)amino]ethyl]phenoxy]-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium?

The IUPAC name of [[[4-[[[(4-azidooxyphenyl)methylideneamino]-methylamino]methoxy]phenyl]-diphenyl-λ5-phosphanylidene]amino]-[4-[[[[4-[2-[bis(dimethoxyphosphorylmethyl)amino]ethyl]phenoxy]-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium (CID 158324030) is [[[4-[[[(4-azidooxyphenyl)methylideneamino]-methylamino]methoxy]phenyl]-diphenyl-λ5-phosphanylidene]amino]-[4-[[[[4-[2-[bis(dimethoxyphosphorylmethyl)amino]ethyl]phenoxy]-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium.

What is the SMILES notation for [[[4-[[[(4-azidooxyphenyl)methylideneamino]-methylamino]methoxy]phenyl]-diphenyl-λ5-phosphanylidene]amino]-[4-[[[[4-[2-[bis(dimethoxyphosphorylmethyl)amino]ethyl]phenoxy]-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium?

The canonical SMILES for [[[4-[[[(4-azidooxyphenyl)methylideneamino]-methylamino]methoxy]phenyl]-diphenyl-λ5-phosphanylidene]amino]-[4-[[[[4-[2-[bis(dimethoxyphosphorylmethyl)amino]ethyl]phenoxy]-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium is COP(=O)(CN(CCc1ccc(O[P+](=S)N(C)N=Cc2ccc(O[P+](=S)N=P(c3ccccc3)(c3ccccc3)c3ccc(OCN(C)N=Cc4ccc(ON=[N+]=[N-])cc4)cc3)cc2)cc1)CP(=O)(OC)OC)OC.

What is the InChIKey of [[[4-[[[(4-azidooxyphenyl)methylideneamino]-methylamino]methoxy]phenyl]-diphenyl-λ5-phosphanylidene]amino]-[4-[[[[4-[2-[bis(dimethoxyphosphorylmethyl)amino]ethyl]phenoxy]-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium?

The InChIKey is LLYCJAXJRFNAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H56N9O10P5S2/c1-56(51-35-41-19-23-44(24-20-41)66-54-53-50)37-65-43-29-31-49(32-30-43)73(47-13-9-7-10-14-47,48-15-11-8-12-16-48)55-69(74)67-45-27-21-42(22-28-45)36-52-57(2)70(75)68-46-25-17-40(18-26-46)33-34-58(38-71(59,61-3)62-4)39-72(60,63-5)64-6/h7-32,35-36H,33-34,37-39H2,1-6H3/q+2.

What are the key properties of [[[4-[[[(4-azidooxyphenyl)methylideneamino]-methylamino]methoxy]phenyl]-diphenyl-λ5-phosphanylidene]amino]-[4-[[[[4-[2-[bis(dimethoxyphosphorylmethyl)amino]ethyl]phenoxy]-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium?

[[[4-[[[(4-azidooxyphenyl)methylideneamino]-methylamino]methoxy]phenyl]-diphenyl-λ5-phosphanylidene]amino]-[4-[[[[4-[2-[bis(dimethoxyphosphorylmethyl)amino]ethyl]phenoxy]-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium has a molecular weight of 1150.04 g/mol, XLogP of 11.77, 29 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [[[4-[[[(4-azidooxyphenyl)methylideneamino]-methylamino]methoxy]phenyl]-diphenyl-λ5-phosphanylidene]amino]-[4-[[[[4-[2-[bis(dimethoxyphosphorylmethyl)amino]ethyl]phenoxy]-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium is sourced from PubChem (CID 158324030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).