3-[4-[4,6-bis[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]propylphosphonic acid;[4-[[4-[4-[4,6-bis[4-[1-[[4-(phosphonomethyl)phenyl]methyl]pyridin-1-ium-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]methyl]phenyl]methylphosphonic acid;2-[4-[4,6-bis[1-(2-trihydroxysilylethyl)pyridin-1-ium-4-yl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]ethyl-trihydroxysilane;3-[4-[4-[4-[4-[1-(2-formyloxyethyl)pyridin-1-ium-4-yl]phenyl]-6-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]propanoic acid

C162H158N24O25P4Si3+12 — CID 157112196

IUPAC3-[4-[4,6-bis[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]propylphosphonic acid;[4-[[4-[4-[4,6-bis[4-[1-[[4-(phosphonomethyl)phenyl]methyl]pyridin-1-ium-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]methyl]phenyl]methylphosphonic acid;2-[4-[4,6-bis[1-(2-trihydroxysilylethyl)pyridin-1-ium-4-yl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]ethyl-trihydroxysilane;3-[4-[4-[4-[4-[1-(2-formyloxyethyl)pyridin-1-ium-4-yl]phenyl]-6-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]propanoic acid
SMILESC[n+]1ccc(-c2ccc(-c3nc(-c4ccc(-c5cc[n+](C)cc5)cc4)nc(-c4cc[n+](CCCP(=O)(O)O)cc4)n3)cc2)cc1.C[n+]1ccc(-c2ccc(-c3nc(-c4ccc(-c5cc[n+](CCOC=O)cc5)cc4)nc(-c4ccc(-c5cc[n+](CCC(=O)O)cc5)cc4)n3)cc2)cc1.O=P(O)(O)Cc1ccc(C[n+]2ccc(-c3ccc(-c4nc(-c5ccc(-c6cc[n+](Cc7ccc(CP(=O)(O)O)cc7)cc6)cc5)nc(-c5ccc(-c6cc[n+](Cc7ccc(CP(=O)(O)O)cc7)cc6)cc5)n4)cc3)cc2)cc1.O[Si](O)(O)CC[n+]1ccc(-c2nc(-c3cc[n+](CC[Si](O)(O)O)cc3)nc(-c3cc[n+](CC[Si](O)(O)O)cc3)n2)cc1
InChIInChI=1S/C60H51N6O9P3.C43H36N6O4.C35H32N6O3P.C24H33N6O9Si3/c67-76(68,69)40-46-7-1-43(2-8-46)37-64-31-25-52(26-32-64)49-13-19-55(20-14-49)58-61-59(56-21-15-50(16-22-56)53-27-33-65(34-28-53)38-44-3-9-47(10-4-44)41-77(70,71)72)63-60(62-58)57-23-17-51(18-24-57)54-29-35-66(36-30-54)39-45-5-11-48(12-6-45)42-78(73,74)75;1-47-21-14-34(15-22-47)31-2-8-37(9-3-31)41-44-42(38-10-4-32(5-11-38)35-16-23-48(24-17-35)27-20-40(51)52)46-43(45-41)39-12-6-33(7-13-39)36-18-25-49(26-19-36)28-29-53-30-50;1-39-19-12-28(13-20-39)26-4-8-30(9-5-26)33-36-34(31-10-6-27(7-11-31)29-14-21-40(2)22-15-29)38-35(37-33)32-16-23-41(24-17-32)18-3-25-45(42,43)44;31-40(32,33)16-13-28-7-1-19(2-8-28)22-25-23(20-3-9-29(10-4-20)14-17-41(34,35)36)27-24(26-22)21-5-11-30(12-6-21)15-18-42(37,38)39/h1-36H,37-42H2,(H3-3,67,68,69,70,71,72,73,74,75);2-19,21-26,30H,20,27-29H2,1H3;4-17,19-24H,3,18,25H2,1-2H3;1-12,31-39H,13-18H2/q;+2;+1;+3/p+6
InChIKeyOHHGTESPQRJCTB-UHFFFAOYSA-T
MW3049.34 g/mol
LogP17.03
Rot. Bonds52

About 3-[4-[4,6-bis[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]propylphosphonic acid;[4-[[4-[4-[4,6-bis[4-[1-[[4-(phosphonomethyl)phenyl]methyl]pyridin-1-ium-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]methyl]phenyl]methylphosphonic acid;2-[4-[4,6-bis[1-(2-trihydroxysilylethyl)pyridin-1-ium-4-yl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]ethyl-trihydroxysilane;3-[4-[4-[4-[4-[1-(2-formyloxyethyl)pyridin-1-ium-4-yl]phenyl]-6-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]propanoic acid

3-[4-[4,6-bis[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]propylphosphonic acid;[4-[[4-[4-[4,6-bis[4-[1-[[4-(phosphonomethyl)phenyl]methyl]pyridin-1-ium-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]methyl]phenyl]methylphosphonic acid;2-[4-[4,6-bis[1-(2-trihydroxysilylethyl)pyridin-1-ium-4-yl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]ethyl-trihydroxysilane;3-[4-[4-[4-[4-[1-(2-formyloxyethyl)pyridin-1-ium-4-yl]phenyl]-6-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]propanoic acid (PubChem CID 157112196) has the molecular formula C162H158N24O25P4Si3+12 and a molecular weight of 3049.34 g/mol. Its IUPAC name is 3-[4-[4,6-bis[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]propylphosphonic acid;[4-[[4-[4-[4,6-bis[4-[1-[[4-(phosphonomethyl)phenyl]methyl]pyridin-1-ium-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]methyl]phenyl]methylphosphonic acid;2-[4-[4,6-bis[1-(2-trihydroxysilylethyl)pyridin-1-ium-4-yl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]ethyl-trihydroxysilane;3-[4-[4-[4-[4-[1-(2-formyloxyethyl)pyridin-1-ium-4-yl]phenyl]-6-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[4,6-bis[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]propylphosphonic acid;[4-[[4-[4-[4,6-bis[4-[1-[[4-(phosphonomethyl)phenyl]methyl]pyridin-1-ium-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]methyl]phenyl]methylphosphonic acid;2-[4-[4,6-bis[1-(2-trihydroxysilylethyl)pyridin-1-ium-4-yl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]ethyl-trihydroxysilane;3-[4-[4-[4-[4-[1-(2-formyloxyethyl)pyridin-1-ium-4-yl]phenyl]-6-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]propanoic acid
PubChem CID157112196
Molecular FormulaC162H158N24O25P4Si3+12
Molecular Weight3049.34 g/mol
Exact Mass3047.00
IUPAC Name3-[4-[4,6-bis[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]propylphosphonic acid;[4-[[4-[4-[4,6-bis[4-[1-[[4-(phosphonomethyl)phenyl]methyl]pyridin-1-ium-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]methyl]phenyl]methylphosphonic acid;2-[4-[4,6-bis[1-(2-trihydroxysilylethyl)pyridin-1-ium-4-yl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]ethyl-trihydroxysilane;3-[4-[4-[4-[4-[1-(2-formyloxyethyl)pyridin-1-ium-4-yl]phenyl]-6-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]propanoic acid
SMILESC[n+]1ccc(-c2ccc(-c3nc(-c4ccc(-c5cc[n+](C)cc5)cc4)nc(-c4cc[n+](CCCP(=O)(O)O)cc4)n3)cc2)cc1.C[n+]1ccc(-c2ccc(-c3nc(-c4ccc(-c5cc[n+](CCOC=O)cc5)cc4)nc(-c4ccc(-c5cc[n+](CCC(=O)O)cc5)cc4)n3)cc2)cc1.O=P(O)(O)Cc1ccc(C[n+]2ccc(-c3ccc(-c4nc(-c5ccc(-c6cc[n+](Cc7ccc(CP(=O)(O)O)cc7)cc6)cc5)nc(-c5ccc(-c6cc[n+](Cc7ccc(CP(=O)(O)O)cc7)cc6)cc5)n4)cc3)cc2)cc1.O[Si](O)(O)CC[n+]1ccc(-c2nc(-c3cc[n+](CC[Si](O)(O)O)cc3)nc(-c3cc[n+](CC[Si](O)(O)O)cc3)n2)cc1
InChIInChI=1S/C60H51N6O9P3.C43H36N6O4.C35H32N6O3P.C24H33N6O9Si3/c67-76(68,69)40-46-7-1-43(2-8-46)37-64-31-25-52(26-32-64)49-13-19-55(20-14-49)58-61-59(56-21-15-50(16-22-56)53-27-33-65(34-28-53)38-44-3-9-47(10-4-44)41-77(70,71)72)63-60(62-58)57-23-17-51(18-24-57)54-29-35-66(36-30-54)39-45-5-11-48(12-6-45)42-78(73,74)75;1-47-21-14-34(15-22-47)31-2-8-37(9-3-31)41-44-42(38-10-4-32(5-11-38)35-16-23-48(24-17-35)27-20-40(51)52)46-43(45-41)39-12-6-33(7-13-39)36-18-25-49(26-19-36)28-29-53-30-50;1-39-19-12-28(13-20-39)26-4-8-30(9-5-26)33-36-34(31-10-6-27(7-11-31)29-14-21-40(2)22-15-29)38-35(37-33)32-16-23-41(24-17-32)18-3-25-45(42,43)44;31-40(32,33)16-13-28-7-1-19(2-8-28)22-25-23(20-3-9-29(10-4-20)14-17-41(34,35)36)27-24(26-22)21-5-11-30(12-6-21)15-18-42(37,38)39/h1-36H,37-42H2,(H3-3,67,68,69,70,71,72,73,74,75);2-19,21-26,30H,20,27-29H2,1H3;4-17,19-24H,3,18,25H2,1-2H3;1-12,31-39H,13-18H2/q;+2;+1;+3/p+6
InChIKeyOHHGTESPQRJCTB-UHFFFAOYSA-T
XLogP17.03
TPSA677.03 Ų
H-Bond Donors18
H-Bond Acceptors28
Rotatable Bonds52
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003049.34
LogP ≤ 517.03
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-[4-[4,6-bis[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]propylphosphonic acid;[4-[[4-[4-[4,6-bis[4-[1-[[4-(phosphonomethyl)phenyl]methyl]pyridin-1-ium-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]methyl]phenyl]methylphosphonic acid;2-[4-[4,6-bis[1-(2-trihydroxysilylethyl)pyridin-1-ium-4-yl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]ethyl-trihydroxysilane;3-[4-[4-[4-[4-[1-(2-formyloxyethyl)pyridin-1-ium-4-yl]phenyl]-6-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]propanoic acid with MolForge

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Related Compounds

[4-[[4-[5-[1-[[4-(phosphonomethyl)phenyl]methyl]pyridin-1-ium-4-yl]-2-pyridinyl]pyridin-1-ium-1-yl]methyl]phenyl]methylphosphonic acid dibromide
CID 159591586
[4-[[4-[4-[2-phenyl-6-[4-[4-[1-[[3-[[4-[4-[2-phenyl-6-[4-[4-[1-[[4-(phosphonomethyl)phenyl]methyl]pyridin-1-ium-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]pyridin-1-ium-1-yl]methyl]phenyl]methylphosphonic acid
CID 121289853
[4-[[4-[4-[6-[4-(1-ethylpyridin-1-ium-4-yl)phenyl]-2-phenyl-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]pyridin-1-ium-1-yl]methyl]phenyl]methylphosphonic acid
CID 121289785
8-[4-[4-[2-methyl-6-(1-methylpyridin-1-ium-4-yl)pyrimidin-4-yl]phenyl]pyridin-1-ium-1-yl]octylphosphonic acid
CID 121289808
2-ethyl-6-(1-ethylpyridin-1-ium-4-yl)-7-methylisoquinolin-2-ium;3-[6-[1-(2-formyloxyethyl)pyridin-1-ium-4-yl]isoquinolin-2-ium-2-yl]propanoic acid;2-[6-[1-(isocyanomethyl)pyridin-1-ium-4-yl]isoquinolin-2-ium-2-yl]acetonitrile;4-[[6-[1-[(4-isocyanophenyl)methyl]pyridin-1-ium-4-yl]isoquinolin-2-ium-2-yl]methyl]benzonitrile;2-[6-(1-propylpyridin-1-ium-4-yl)isoquinolin-2-ium-2-yl]ethylphosphonic acid
CID 161202520
6-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]hexanoic acid
CID 59445283
(1-benzylpyridin-1-ium-4-yl)methylphosphonic acid
CID 14787580
4-[[4-[1-[(4-carboxyphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoic acid
CID 86074431
4-[[4-[4,6-bis[1-[(4-formylphenyl)methyl]pyridin-1-ium-4-yl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]methyl]benzaldehyde trichloride
CID 91970399
3-[4-[1-(2-carboxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propanoic acid dichloride
CID 15305748
2-[4-[1-[[3,5-bis[[4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid
CID 118617596
2-[4-[4-[2-phenyl-6-[4-[4-[1-(2-phosphonoethyl)pyridin-1-ium-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]pyridin-1-ium-1-yl]ethylphosphonic acid
CID 121289801

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4,6-bis[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]propylphosphonic acid;[4-[[4-[4-[4,6-bis[4-[1-[[4-(phosphonomethyl)phenyl]methyl]pyridin-1-ium-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]methyl]phenyl]methylphosphonic acid;2-[4-[4,6-bis[1-(2-trihydroxysilylethyl)pyridin-1-ium-4-yl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]ethyl-trihydroxysilane;3-[4-[4-[4-[4-[1-(2-formyloxyethyl)pyridin-1-ium-4-yl]phenyl]-6-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]propanoic acid?
The IUPAC name of 3-[4-[4,6-bis[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]propylphosphonic acid;[4-[[4-[4-[4,6-bis[4-[1-[[4-(phosphonomethyl)phenyl]methyl]pyridin-1-ium-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]methyl]phenyl]methylphosphonic acid;2-[4-[4,6-bis[1-(2-trihydroxysilylethyl)pyridin-1-ium-4-yl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]ethyl-trihydroxysilane;3-[4-[4-[4-[4-[1-(2-formyloxyethyl)pyridin-1-ium-4-yl]phenyl]-6-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]propanoic acid (CID 157112196) is 3-[4-[4,6-bis[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]propylphosphonic acid;[4-[[4-[4-[4,6-bis[4-[1-[[4-(phosphonomethyl)phenyl]methyl]pyridin-1-ium-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]methyl]phenyl]methylphosphonic acid;2-[4-[4,6-bis[1-(2-trihydroxysilylethyl)pyridin-1-ium-4-yl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]ethyl-trihydroxysilane;3-[4-[4-[4-[4-[1-(2-formyloxyethyl)pyridin-1-ium-4-yl]phenyl]-6-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[4,6-bis[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]propylphosphonic acid;[4-[[4-[4-[4,6-bis[4-[1-[[4-(phosphonomethyl)phenyl]methyl]pyridin-1-ium-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]methyl]phenyl]methylphosphonic acid;2-[4-[4,6-bis[1-(2-trihydroxysilylethyl)pyridin-1-ium-4-yl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]ethyl-trihydroxysilane;3-[4-[4-[4-[4-[1-(2-formyloxyethyl)pyridin-1-ium-4-yl]phenyl]-6-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[4,6-bis[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]propylphosphonic acid;[4-[[4-[4-[4,6-bis[4-[1-[[4-(phosphonomethyl)phenyl]methyl]pyridin-1-ium-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]methyl]phenyl]methylphosphonic acid;2-[4-[4,6-bis[1-(2-trihydroxysilylethyl)pyridin-1-ium-4-yl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]ethyl-trihydroxysilane;3-[4-[4-[4-[4-[1-(2-formyloxyethyl)pyridin-1-ium-4-yl]phenyl]-6-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]propanoic acid is C[n+]1ccc(-c2ccc(-c3nc(-c4ccc(-c5cc[n+](C)cc5)cc4)nc(-c4cc[n+](CCCP(=O)(O)O)cc4)n3)cc2)cc1.C[n+]1ccc(-c2ccc(-c3nc(-c4ccc(-c5cc[n+](CCOC=O)cc5)cc4)nc(-c4ccc(-c5cc[n+](CCC(=O)O)cc5)cc4)n3)cc2)cc1.O=P(O)(O)Cc1ccc(C[n+]2ccc(-c3ccc(-c4nc(-c5ccc(-c6cc[n+](Cc7ccc(CP(=O)(O)O)cc7)cc6)cc5)nc(-c5ccc(-c6cc[n+](Cc7ccc(CP(=O)(O)O)cc7)cc6)cc5)n4)cc3)cc2)cc1.O[Si](O)(O)CC[n+]1ccc(-c2nc(-c3cc[n+](CC[Si](O)(O)O)cc3)nc(-c3cc[n+](CC[Si](O)(O)O)cc3)n2)cc1.
What is the InChIKey of 3-[4-[4,6-bis[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]propylphosphonic acid;[4-[[4-[4-[4,6-bis[4-[1-[[4-(phosphonomethyl)phenyl]methyl]pyridin-1-ium-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]methyl]phenyl]methylphosphonic acid;2-[4-[4,6-bis[1-(2-trihydroxysilylethyl)pyridin-1-ium-4-yl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]ethyl-trihydroxysilane;3-[4-[4-[4-[4-[1-(2-formyloxyethyl)pyridin-1-ium-4-yl]phenyl]-6-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]propanoic acid?
The InChIKey is OHHGTESPQRJCTB-UHFFFAOYSA-T. The full InChI is InChI=1S/C60H51N6O9P3.C43H36N6O4.C35H32N6O3P.C24H33N6O9Si3/c67-76(68,69)40-46-7-1-43(2-8-46)37-64-31-25-52(26-32-64)49-13-19-55(20-14-49)58-61-59(56-21-15-50(16-22-56)53-27-33-65(34-28-53)38-44-3-9-47(10-4-44)41-77(70,71)72)63-60(62-58)57-23-17-51(18-24-57)54-29-35-66(36-30-54)39-45-5-11-48(12-6-45)42-78(73,74)75;1-47-21-14-34(15-22-47)31-2-8-37(9-3-31)41-44-42(38-10-4-32(5-11-38)35-16-23-48(24-17-35)27-20-40(51)52)46-43(45-41)39-12-6-33(7-13-39)36-18-25-49(26-19-36)28-29-53-30-50;1-39-19-12-28(13-20-39)26-4-8-30(9-5-26)33-36-34(31-10-6-27(7-11-31)29-14-21-40(2)22-15-29)38-35(37-33)32-16-23-41(24-17-32)18-3-25-45(42,43)44;31-40(32,33)16-13-28-7-1-19(2-8-28)22-25-23(20-3-9-29(10-4-20)14-17-41(34,35)36)27-24(26-22)21-5-11-30(12-6-21)15-18-42(37,38)39/h1-36H,37-42H2,(H3-3,67,68,69,70,71,72,73,74,75);2-19,21-26,30H,20,27-29H2,1H3;4-17,19-24H,3,18,25H2,1-2H3;1-12,31-39H,13-18H2/q;+2;+1;+3/p+6.
What are the key properties of 3-[4-[4,6-bis[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]propylphosphonic acid;[4-[[4-[4-[4,6-bis[4-[1-[[4-(phosphonomethyl)phenyl]methyl]pyridin-1-ium-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]methyl]phenyl]methylphosphonic acid;2-[4-[4,6-bis[1-(2-trihydroxysilylethyl)pyridin-1-ium-4-yl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]ethyl-trihydroxysilane;3-[4-[4-[4-[4-[1-(2-formyloxyethyl)pyridin-1-ium-4-yl]phenyl]-6-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]propanoic acid?
3-[4-[4,6-bis[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]propylphosphonic acid;[4-[[4-[4-[4,6-bis[4-[1-[[4-(phosphonomethyl)phenyl]methyl]pyridin-1-ium-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]methyl]phenyl]methylphosphonic acid;2-[4-[4,6-bis[1-(2-trihydroxysilylethyl)pyridin-1-ium-4-yl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]ethyl-trihydroxysilane;3-[4-[4-[4-[4-[1-(2-formyloxyethyl)pyridin-1-ium-4-yl]phenyl]-6-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]propanoic acid has a molecular weight of 3049.34 g/mol, XLogP of 17.03, 52 rotatable bonds, 18 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4,6-bis[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]propylphosphonic acid;[4-[[4-[4-[4,6-bis[4-[1-[[4-(phosphonomethyl)phenyl]methyl]pyridin-1-ium-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]methyl]phenyl]methylphosphonic acid;2-[4-[4,6-bis[1-(2-trihydroxysilylethyl)pyridin-1-ium-4-yl]-1,3,5-triazin-2-yl]pyridin-1-ium-1-yl]ethyl-trihydroxysilane;3-[4-[4-[4-[4-[1-(2-formyloxyethyl)pyridin-1-ium-4-yl]phenyl]-6-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridin-1-ium-1-yl]propanoic acid is sourced from PubChem (CID 157112196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).