[4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-(3-trimethoxysilylpropyl)azanium;1-O-butyl 5-O-methyl 4-methyl-2-prop-2-enoyloxypentanedioate;1-O-butyl 5-O-methyl 4-methyl-2-[3-(3-trimethoxysilylpropylamino)propanoyloxy]pentanedioate;dioxosilane;methanol;3-trimethoxysilylpropan-1-amine;iodide

C86H164IN5O32Si4 — CID 159688836

IUPAC[4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-(3-trimethoxysilylpropyl)azanium;1-O-butyl 5-O-methyl 4-methyl-2-prop-2-enoyloxypentanedioate;1-O-butyl 5-O-methyl 4-methyl-2-[3-(3-trimethoxysilylpropylamino)propanoyloxy]pentanedioate;dioxosilane;methanol;3-trimethoxysilylpropan-1-amine;iodide
SMILESC=CC(=O)OC(CC(C)C(=O)OC)C(=O)OCCCC.CCCCOC(=O)C(CC(C)C(=O)OC)OC(=O)CCNCCC[Si](OC)(OC)OC.CCN(CC)c1ccc(C(=C2C=C/C(=[NH+]\CCC[Si](OC)(OC)OC)c3ccccc32)c2ccc(N(CC)CC)cc2)cc1.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO[Si](CCCN)(OC)OC.O=[Si]=O.[I-]
InChIInChI=1S/C37H49N3O3Si.C20H39NO9Si.C14H22O6.C6H17NO3Si.9CH4O.HI.O2Si/c1-8-39(9-2)31-21-17-29(18-22-31)37(30-19-23-32(24-20-30)40(10-3)11-4)35-25-26-36(34-16-13-12-15-33(34)35)38-27-14-28-44(41-5,42-6)43-7;1-7-8-13-29-20(24)17(15-16(2)19(23)25-3)30-18(22)10-12-21-11-9-14-31(26-4,27-5)28-6;1-5-7-8-19-14(17)11(20-12(15)6-2)9-10(3)13(16)18-4;1-8-11(9-2,10-3)6-4-5-7;9*1-2;;1-3-2/h12-13,15-26H,8-11,14,27-28H2,1-7H3;16-17,21H,7-15H2,1-6H3;6,10-11H,2,5,7-9H2,1,3-4H3;4-7H2,1-3H3;9*2H,1H3;1H;/b38-36+;;;;;;;;;;;;;;
InChIKeyUDVKJXXICHIXGA-WPJTVSKZSA-N
MW2019.51 g/mol
LogP2.44
Rot. Bonds48

About [4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-(3-trimethoxysilylpropyl)azanium;1-O-butyl 5-O-methyl 4-methyl-2-prop-2-enoyloxypentanedioate;1-O-butyl 5-O-methyl 4-methyl-2-[3-(3-trimethoxysilylpropylamino)propanoyloxy]pentanedioate;dioxosilane;methanol;3-trimethoxysilylpropan-1-amine;iodide

[4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-(3-trimethoxysilylpropyl)azanium;1-O-butyl 5-O-methyl 4-methyl-2-prop-2-enoyloxypentanedioate;1-O-butyl 5-O-methyl 4-methyl-2-[3-(3-trimethoxysilylpropylamino)propanoyloxy]pentanedioate;dioxosilane;methanol;3-trimethoxysilylpropan-1-amine;iodide (PubChem CID 159688836) has the molecular formula C86H164IN5O32Si4 and a molecular weight of 2019.51 g/mol. Its IUPAC name is [4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-(3-trimethoxysilylpropyl)azanium;1-O-butyl 5-O-methyl 4-methyl-2-prop-2-enoyloxypentanedioate;1-O-butyl 5-O-methyl 4-methyl-2-[3-(3-trimethoxysilylpropylamino)propanoyloxy]pentanedioate;dioxosilane;methanol;3-trimethoxysilylpropan-1-amine;iodide.

Molecular Properties

Compound Name[4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-(3-trimethoxysilylpropyl)azanium;1-O-butyl 5-O-methyl 4-methyl-2-prop-2-enoyloxypentanedioate;1-O-butyl 5-O-methyl 4-methyl-2-[3-(3-trimethoxysilylpropylamino)propanoyloxy]pentanedioate;dioxosilane;methanol;3-trimethoxysilylpropan-1-amine;iodide
PubChem CID159688836
Molecular FormulaC86H164IN5O32Si4
Molecular Weight2019.51 g/mol
Exact Mass2017.95
IUPAC Name[4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-(3-trimethoxysilylpropyl)azanium;1-O-butyl 5-O-methyl 4-methyl-2-prop-2-enoyloxypentanedioate;1-O-butyl 5-O-methyl 4-methyl-2-[3-(3-trimethoxysilylpropylamino)propanoyloxy]pentanedioate;dioxosilane;methanol;3-trimethoxysilylpropan-1-amine;iodide
SMILESC=CC(=O)OC(CC(C)C(=O)OC)C(=O)OCCCC.CCCCOC(=O)C(CC(C)C(=O)OC)OC(=O)CCNCCC[Si](OC)(OC)OC.CCN(CC)c1ccc(C(=C2C=C/C(=[NH+]\CCC[Si](OC)(OC)OC)c3ccccc32)c2ccc(N(CC)CC)cc2)cc1.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO[Si](CCCN)(OC)OC.O=[Si]=O.[I-]
InChIInChI=1S/C37H49N3O3Si.C20H39NO9Si.C14H22O6.C6H17NO3Si.9CH4O.HI.O2Si/c1-8-39(9-2)31-21-17-29(18-22-31)37(30-19-23-32(24-20-30)40(10-3)11-4)35-25-26-36(34-16-13-12-15-33(34)35)38-27-14-28-44(41-5,42-6)43-7;1-7-8-13-29-20(24)17(15-16(2)19(23)25-3)30-18(22)10-12-21-11-9-14-31(26-4,27-5)28-6;1-5-7-8-19-14(17)11(20-12(15)6-2)9-10(3)13(16)18-4;1-8-11(9-2,10-3)6-4-5-7;9*1-2;;1-3-2/h12-13,15-26H,8-11,14,27-28H2,1-7H3;16-17,21H,7-15H2,1-6H3;6,10-11H,2,5,7-9H2,1,3-4H3;4-7H2,1-3H3;9*2H,1H3;1H;/b38-36+;;;;;;;;;;;;;;
InChIKeyUDVKJXXICHIXGA-WPJTVSKZSA-N
XLogP2.44
TPSA515.58 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds48
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002019.51
LogP ≤ 52.44
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-(3-trimethoxysilylpropyl)azanium;1-O-butyl 5-O-methyl 4-methyl-2-prop-2-enoyloxypentanedioate;1-O-butyl 5-O-methyl 4-methyl-2-[3-(3-trimethoxysilylpropylamino)propanoyloxy]pentanedioate;dioxosilane;methanol;3-trimethoxysilylpropan-1-amine;iodide with MolForge

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Related Compounds

[(4Z)-4-[[4-[2-aminoethyl(ethyl)amino]phenyl]-[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-ethylazanium
CID 121442993
[(4E)-4-[[4-[2-acetyloxyethyl(ethyl)amino]phenyl]-[2-bromo-4-[2-ethoxyethyl(ethyl)amino]phenyl]methylidene]naphthalen-1-ylidene]-prop-2-enylazanium
CID 58160750
N-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]-4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;dodecyl prop-2-enoate;undecyl 3-[3-[[[[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propyl-dimethoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]propanoate;tetrachloride
CID 159029799
1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one
CID 156782996
6-[[4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methylidene]naphthalen-1-ylidene]amino]hexyl 2,2-dimethylbutanoate
CID 161306383
[4-[bis[4-(diethylamino)-2-methylphenyl]methylidene]naphthalen-1-ylidene]-ethylazanium
CID 135133908
4-[[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-diethylaniline;propane
CID 145469154
4-[[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-diethylaniline;hydrochloride
CID 131674675
[5-(diethylamino)-2-[(E)-[4-(diethylamino)phenyl]-(4-ethylazaniumylidenenaphthalen-1-ylidene)methyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 140729154
2-bicyclo[2.2.1]heptanylmethyl-[4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]azanium;[4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-ethylazanium;dichloride
CID 161293839
1-(butoxycarbonylamino)propan-2-yl prop-2-enoate
CID 141221847
2-(octan-2-ylamino)ethyl 4-(diethylamino)benzoate;hydrate;hydrochloride
CID 24838005

Frequently Asked Questions

What is the IUPAC name of [4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-(3-trimethoxysilylpropyl)azanium;1-O-butyl 5-O-methyl 4-methyl-2-prop-2-enoyloxypentanedioate;1-O-butyl 5-O-methyl 4-methyl-2-[3-(3-trimethoxysilylpropylamino)propanoyloxy]pentanedioate;dioxosilane;methanol;3-trimethoxysilylpropan-1-amine;iodide?
The IUPAC name of [4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-(3-trimethoxysilylpropyl)azanium;1-O-butyl 5-O-methyl 4-methyl-2-prop-2-enoyloxypentanedioate;1-O-butyl 5-O-methyl 4-methyl-2-[3-(3-trimethoxysilylpropylamino)propanoyloxy]pentanedioate;dioxosilane;methanol;3-trimethoxysilylpropan-1-amine;iodide (CID 159688836) is [4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-(3-trimethoxysilylpropyl)azanium;1-O-butyl 5-O-methyl 4-methyl-2-prop-2-enoyloxypentanedioate;1-O-butyl 5-O-methyl 4-methyl-2-[3-(3-trimethoxysilylpropylamino)propanoyloxy]pentanedioate;dioxosilane;methanol;3-trimethoxysilylpropan-1-amine;iodide.
What is the SMILES notation for [4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-(3-trimethoxysilylpropyl)azanium;1-O-butyl 5-O-methyl 4-methyl-2-prop-2-enoyloxypentanedioate;1-O-butyl 5-O-methyl 4-methyl-2-[3-(3-trimethoxysilylpropylamino)propanoyloxy]pentanedioate;dioxosilane;methanol;3-trimethoxysilylpropan-1-amine;iodide?
The canonical SMILES for [4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-(3-trimethoxysilylpropyl)azanium;1-O-butyl 5-O-methyl 4-methyl-2-prop-2-enoyloxypentanedioate;1-O-butyl 5-O-methyl 4-methyl-2-[3-(3-trimethoxysilylpropylamino)propanoyloxy]pentanedioate;dioxosilane;methanol;3-trimethoxysilylpropan-1-amine;iodide is C=CC(=O)OC(CC(C)C(=O)OC)C(=O)OCCCC.CCCCOC(=O)C(CC(C)C(=O)OC)OC(=O)CCNCCC[Si](OC)(OC)OC.CCN(CC)c1ccc(C(=C2C=C/C(=[NH+]\CCC[Si](OC)(OC)OC)c3ccccc32)c2ccc(N(CC)CC)cc2)cc1.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO[Si](CCCN)(OC)OC.O=[Si]=O.[I-].
What is the InChIKey of [4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-(3-trimethoxysilylpropyl)azanium;1-O-butyl 5-O-methyl 4-methyl-2-prop-2-enoyloxypentanedioate;1-O-butyl 5-O-methyl 4-methyl-2-[3-(3-trimethoxysilylpropylamino)propanoyloxy]pentanedioate;dioxosilane;methanol;3-trimethoxysilylpropan-1-amine;iodide?
The InChIKey is UDVKJXXICHIXGA-WPJTVSKZSA-N. The full InChI is InChI=1S/C37H49N3O3Si.C20H39NO9Si.C14H22O6.C6H17NO3Si.9CH4O.HI.O2Si/c1-8-39(9-2)31-21-17-29(18-22-31)37(30-19-23-32(24-20-30)40(10-3)11-4)35-25-26-36(34-16-13-12-15-33(34)35)38-27-14-28-44(41-5,42-6)43-7;1-7-8-13-29-20(24)17(15-16(2)19(23)25-3)30-18(22)10-12-21-11-9-14-31(26-4,27-5)28-6;1-5-7-8-19-14(17)11(20-12(15)6-2)9-10(3)13(16)18-4;1-8-11(9-2,10-3)6-4-5-7;9*1-2;;1-3-2/h12-13,15-26H,8-11,14,27-28H2,1-7H3;16-17,21H,7-15H2,1-6H3;6,10-11H,2,5,7-9H2,1,3-4H3;4-7H2,1-3H3;9*2H,1H3;1H;/b38-36+;;;;;;;;;;;;;;.
What are the key properties of [4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-(3-trimethoxysilylpropyl)azanium;1-O-butyl 5-O-methyl 4-methyl-2-prop-2-enoyloxypentanedioate;1-O-butyl 5-O-methyl 4-methyl-2-[3-(3-trimethoxysilylpropylamino)propanoyloxy]pentanedioate;dioxosilane;methanol;3-trimethoxysilylpropan-1-amine;iodide?
[4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-(3-trimethoxysilylpropyl)azanium;1-O-butyl 5-O-methyl 4-methyl-2-prop-2-enoyloxypentanedioate;1-O-butyl 5-O-methyl 4-methyl-2-[3-(3-trimethoxysilylpropylamino)propanoyloxy]pentanedioate;dioxosilane;methanol;3-trimethoxysilylpropan-1-amine;iodide has a molecular weight of 2019.51 g/mol, XLogP of 2.44, 48 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-(3-trimethoxysilylpropyl)azanium;1-O-butyl 5-O-methyl 4-methyl-2-prop-2-enoyloxypentanedioate;1-O-butyl 5-O-methyl 4-methyl-2-[3-(3-trimethoxysilylpropylamino)propanoyloxy]pentanedioate;dioxosilane;methanol;3-trimethoxysilylpropan-1-amine;iodide is sourced from PubChem (CID 159688836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).