[[(E)-[4-(2-azidoheptan-2-yloxy)phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[methyl-[2-[4-[(E)-[methyl-[2-[4-(phosphonomethyl)phenoxy]propan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]hexan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]propan-2-yl]-sulfanylidenephosphanium

C50H70N9O7P4S3+3 — CID 89365045

IUPAC[[(E)-[4-(2-azidoheptan-2-yloxy)phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[methyl-[2-[4-[(E)-[methyl-[2-[4-(phosphonomethyl)phenoxy]propan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]hexan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]propan-2-yl]-sulfanylidenephosphanium
SMILESCCCCCC(C)(N=[N+]=[N-])Oc1ccc(/C=N/N(C)[P+](=S)C(C)(C)Oc2ccc(/C=N/N(C)[P+](=S)C(C)(CCCC)Oc3ccc(/C=N/N(C)[P+](=S)C(C)(C)Oc4ccc(CP(=O)(O)O)cc4)cc3)cc2)cc1
InChIInChI=1S/C50H68N9O7P4S3/c1-12-14-16-33-49(7,55-56-51)65-45-27-19-40(20-28-45)35-52-57(9)67(71)47(3,4)63-43-25-17-39(18-26-43)37-54-59(11)69(73)50(8,34-15-13-2)66-46-29-21-41(22-30-46)36-53-58(10)68(72)48(5,6)64-44-31-23-42(24-32-44)38-70(60,61)62/h17-32,35-37H,12-16,33-34,38H2,1-11H3/q+1/p+2/b52-35+,53-36+,54-37+
InChIKeyLWRWQWHAZLCNAX-UTSBRKTBSA-P
MW1129.26 g/mol
LogP14.34
Rot. Bonds30

About [[(E)-[4-(2-azidoheptan-2-yloxy)phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[methyl-[2-[4-[(E)-[methyl-[2-[4-(phosphonomethyl)phenoxy]propan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]hexan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]propan-2-yl]-sulfanylidenephosphanium

[[(E)-[4-(2-azidoheptan-2-yloxy)phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[methyl-[2-[4-[(E)-[methyl-[2-[4-(phosphonomethyl)phenoxy]propan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]hexan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]propan-2-yl]-sulfanylidenephosphanium (PubChem CID 89365045) has the molecular formula C50H70N9O7P4S3+3 and a molecular weight of 1129.26 g/mol. Its IUPAC name is [[(E)-[4-(2-azidoheptan-2-yloxy)phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[methyl-[2-[4-[(E)-[methyl-[2-[4-(phosphonomethyl)phenoxy]propan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]hexan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]propan-2-yl]-sulfanylidenephosphanium.

Molecular Properties

Compound Name[[(E)-[4-(2-azidoheptan-2-yloxy)phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[methyl-[2-[4-[(E)-[methyl-[2-[4-(phosphonomethyl)phenoxy]propan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]hexan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]propan-2-yl]-sulfanylidenephosphanium
PubChem CID89365045
Molecular FormulaC50H70N9O7P4S3+3
Molecular Weight1129.26 g/mol
Exact Mass1128.35
IUPAC Name[[(E)-[4-(2-azidoheptan-2-yloxy)phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[methyl-[2-[4-[(E)-[methyl-[2-[4-(phosphonomethyl)phenoxy]propan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]hexan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]propan-2-yl]-sulfanylidenephosphanium
SMILESCCCCCC(C)(N=[N+]=[N-])Oc1ccc(/C=N/N(C)[P+](=S)C(C)(C)Oc2ccc(/C=N/N(C)[P+](=S)C(C)(CCCC)Oc3ccc(/C=N/N(C)[P+](=S)C(C)(C)Oc4ccc(CP(=O)(O)O)cc4)cc3)cc2)cc1
InChIInChI=1S/C50H68N9O7P4S3/c1-12-14-16-33-49(7,55-56-51)65-45-27-19-40(20-28-45)35-52-57(9)67(71)47(3,4)63-43-25-17-39(18-26-43)37-54-59(11)69(73)50(8,34-15-13-2)66-46-29-21-41(22-30-46)36-53-58(10)68(72)48(5,6)64-44-31-23-42(24-32-44)38-70(60,61)62/h17-32,35-37H,12-16,33-34,38H2,1-11H3/q+1/p+2/b52-35+,53-36+,54-37+
InChIKeyLWRWQWHAZLCNAX-UTSBRKTBSA-P
XLogP14.34
TPSA190.01 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001129.26
LogP ≤ 514.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [[(E)-[4-(2-azidoheptan-2-yloxy)phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[methyl-[2-[4-[(E)-[methyl-[2-[4-(phosphonomethyl)phenoxy]propan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]hexan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]propan-2-yl]-sulfanylidenephosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[(E)-[4-(2-azidoheptan-2-yloxy)phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[methyl-[2-[4-(phosphonomethyl)phenoxy]pentan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium
CID 89365044
2-[4-[[[2-diethylphosphoryl-2-[ethyl(methyl)phosphoryl]ethyl]-methylhydrazinylidene]methyl]phenoxy]hexan-2-yl-[methyl-[[4-(2-methylheptan-2-yloxy)phenyl]methylideneamino]amino]-sulfanylidenephosphanium
CID 90969374
[[(E)-[4-[2-[amino-[amino(aminophosphanyl)phosphanyl]phosphanyl]pentan-2-yloxy]phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[[2-(4-formylphenoxy)propan-2-yl-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]pentan-2-yl]-sulfanylidenephosphanium
CID 88895581
2-[4-[1-[benzyl(methyl)amino]-2-oxoethyl]phenoxy]pentan-2-yl-[methyl-[[4-(3-methylhexan-3-yloxy)phenyl]methylideneamino]amino]-sulfanylidenephosphanium
CID 91416952
azido-bis(phosphanyl)phosphane;[4-(dimethoxyphosphorylmethyl)phenoxy]-[methyl-[(E)-[4-[methylamino(sulfanylidene)phosphaniumyl]oxyphenyl]methylideneamino]amino]-sulfanylidenephosphanium;4-methanimidoylphenol
CID 172974354
[[(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
3-[4-(1-hydroxyethyl)phenoxy]hexan-3-yl-[methyl-[[4-(2-methylbutan-2-yloxy)phenyl]methylideneamino]amino]-sulfanylidenephosphanium
CID 91587240
[[(E)-(4-ethoxyphenyl)methylideneamino]-methylamino]-[2-[4-[methylamino(phosphoroso)methyl]phenoxy]butan-2-yl]-sulfanylidenephosphanium
CID 138483704
2-[4-[[bis[4-(2-aminoethyl)phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenyl]propan-2-yl-[methyl-[[4-(2-methylbutan-2-yloxy)phenyl]methylideneamino]amino]-sulfanylidenephosphanium
CID 123860301
disodium;[butyl-[[hydroxy(oxido)phosphoryl]-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]amino]methyl-hydroxyphosphinate
CID 59558270
disodium;[2-[4-[[[(E)-[4-bis(phosphanyl)phosphanyloxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]ethyl-[[hydroxy(oxido)phosphoryl]methyl]amino]methyl-hydroxyphosphinate
CID 59400991
N-hexyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
CID 23343830

Frequently Asked Questions

What is the IUPAC name of [[(E)-[4-(2-azidoheptan-2-yloxy)phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[methyl-[2-[4-[(E)-[methyl-[2-[4-(phosphonomethyl)phenoxy]propan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]hexan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]propan-2-yl]-sulfanylidenephosphanium?
The IUPAC name of [[(E)-[4-(2-azidoheptan-2-yloxy)phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[methyl-[2-[4-[(E)-[methyl-[2-[4-(phosphonomethyl)phenoxy]propan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]hexan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]propan-2-yl]-sulfanylidenephosphanium (CID 89365045) is [[(E)-[4-(2-azidoheptan-2-yloxy)phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[methyl-[2-[4-[(E)-[methyl-[2-[4-(phosphonomethyl)phenoxy]propan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]hexan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]propan-2-yl]-sulfanylidenephosphanium.
What is the SMILES notation for [[(E)-[4-(2-azidoheptan-2-yloxy)phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[methyl-[2-[4-[(E)-[methyl-[2-[4-(phosphonomethyl)phenoxy]propan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]hexan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]propan-2-yl]-sulfanylidenephosphanium?
The canonical SMILES for [[(E)-[4-(2-azidoheptan-2-yloxy)phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[methyl-[2-[4-[(E)-[methyl-[2-[4-(phosphonomethyl)phenoxy]propan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]hexan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]propan-2-yl]-sulfanylidenephosphanium is CCCCCC(C)(N=[N+]=[N-])Oc1ccc(/C=N/N(C)[P+](=S)C(C)(C)Oc2ccc(/C=N/N(C)[P+](=S)C(C)(CCCC)Oc3ccc(/C=N/N(C)[P+](=S)C(C)(C)Oc4ccc(CP(=O)(O)O)cc4)cc3)cc2)cc1.
What is the InChIKey of [[(E)-[4-(2-azidoheptan-2-yloxy)phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[methyl-[2-[4-[(E)-[methyl-[2-[4-(phosphonomethyl)phenoxy]propan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]hexan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]propan-2-yl]-sulfanylidenephosphanium?
The InChIKey is LWRWQWHAZLCNAX-UTSBRKTBSA-P. The full InChI is InChI=1S/C50H68N9O7P4S3/c1-12-14-16-33-49(7,55-56-51)65-45-27-19-40(20-28-45)35-52-57(9)67(71)47(3,4)63-43-25-17-39(18-26-43)37-54-59(11)69(73)50(8,34-15-13-2)66-46-29-21-41(22-30-46)36-53-58(10)68(72)48(5,6)64-44-31-23-42(24-32-44)38-70(60,61)62/h17-32,35-37H,12-16,33-34,38H2,1-11H3/q+1/p+2/b52-35+,53-36+,54-37+.
What are the key properties of [[(E)-[4-(2-azidoheptan-2-yloxy)phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[methyl-[2-[4-[(E)-[methyl-[2-[4-(phosphonomethyl)phenoxy]propan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]hexan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]propan-2-yl]-sulfanylidenephosphanium?
[[(E)-[4-(2-azidoheptan-2-yloxy)phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[methyl-[2-[4-[(E)-[methyl-[2-[4-(phosphonomethyl)phenoxy]propan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]hexan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]propan-2-yl]-sulfanylidenephosphanium has a molecular weight of 1129.26 g/mol, XLogP of 14.34, 30 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-[4-(2-azidoheptan-2-yloxy)phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[methyl-[2-[4-[(E)-[methyl-[2-[4-(phosphonomethyl)phenoxy]propan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]hexan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]propan-2-yl]-sulfanylidenephosphanium is sourced from PubChem (CID 89365045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).