dichloromethane;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]acridine-9-carboxylate;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]-10-methylacridin-10-ium-9-carboxylate;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methylacridin-10-ium-9-carbonyl]oxy-3,5-dimethylbenzoic acid;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methyl-9,9a-dihydro-4aH-acridine-9-carbonyl]oxy-3,5-dimethylbenzoic acid;methane;methylsulfanylmethane;methyl trifluoromethanesulfonate;bis(trifluoromethanesulfonate)

C191H171Cl2F9N4O45P4S4 — CID 162172631

IUPACdichloromethane;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]acridine-9-carboxylate;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]-10-methylacridin-10-ium-9-carboxylate;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methylacridin-10-ium-9-carbonyl]oxy-3,5-dimethylbenzoic acid;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methyl-9,9a-dihydro-4aH-acridine-9-carbonyl]oxy-3,5-dimethylbenzoic acid;methane;methylsulfanylmethane;methyl trifluoromethanesulfonate;bis(trifluoromethanesulfonate)
SMILESC.COS(=O)(=O)C(F)(F)F.CSC.Cc1cc(C(=O)O)cc(C)c1OC(=O)C1c2ccccc2N(C)C2C=C(/C(=C/c3ccc(O)cc3)OP(=O)(O)O)C=CC12.Cc1cc(C(=O)O)cc(C)c1OC(=O)c1c2ccccc2[n+](C)c2cc(/C(=C/c3ccc(O)cc3)OP(=O)(O)O)ccc12.Cc1cc(C(=O)OCc2ccccc2)cc(C)c1OC(=O)c1c2ccccc2[n+](C)c2cc(/C(=C/c3ccc(OCc4ccccc4)cc3)OP(=O)(OCc3ccccc3)OCc3ccccc3)ccc12.Cc1cc(C(=O)OCc2ccccc2)cc(C)c1OC(=O)c1c2ccccc2nc2cc(/C(=C/c3ccc(OCc4ccccc4)cc3)OP(=O)(OCc3ccccc3)OCc3ccccc3)ccc12.ClCCl.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C60H51NO9P.C59H48NO9P.C32H30NO9P.C32H26NO9P.C2H3F3O3S.C2H6S.CH2Cl2.2CHF3O3S.CH4/c1-42-34-50(59(62)66-39-46-20-10-5-11-21-46)35-43(2)58(42)69-60(63)57-52-26-16-17-27-54(52)61(3)55-37-49(30-33-53(55)57)56(36-44-28-31-51(32-29-44)65-38-45-18-8-4-9-19-45)70-71(64,67-40-47-22-12-6-13-23-47)68-41-48-24-14-7-15-25-48;1-41-33-49(58(61)65-38-45-19-9-4-10-20-45)34-42(2)57(41)68-59(62)56-51-25-15-16-26-53(51)60-54-36-48(29-32-52(54)56)55(35-43-27-30-50(31-28-43)64-37-44-17-7-3-8-18-44)69-70(63,66-39-46-21-11-5-12-22-46)67-40-47-23-13-6-14-24-47;2*1-18-14-22(31(35)36)15-19(2)30(18)41-32(37)29-24-6-4-5-7-26(24)33(3)27-17-21(10-13-25(27)29)28(42-43(38,39)40)16-20-8-11-23(34)12-9-20;1-8-9(6,7)2(3,4)5;1-3-2;2-1-3;2*2-1(3,4)8(5,6)7;/h4-37H,38-41H2,1-3H3;3-36H,37-40H2,1-2H3;4-17,25,27,29,34H,1-3H3,(H,35,36)(H2,38,39,40);4-17H,1-3H3,(H3,35,36,38,39,40);1H3;1-2H3;1H2;2*(H,5,6,7);1H4/q+1;;;;;;;;;/p-1/b56-36-;55-35-;28-16-;;;;;;;
InChIKeyZNZJSSHNINEUCO-RUGUQJDISA-M
MW3736.50 g/mol
LogP42.63
Rot. Bonds51

About dichloromethane;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]acridine-9-carboxylate;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]-10-methylacridin-10-ium-9-carboxylate;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methylacridin-10-ium-9-carbonyl]oxy-3,5-dimethylbenzoic acid;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methyl-9,9a-dihydro-4aH-acridine-9-carbonyl]oxy-3,5-dimethylbenzoic acid;methane;methylsulfanylmethane;methyl trifluoromethanesulfonate;bis(trifluoromethanesulfonate)

dichloromethane;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]acridine-9-carboxylate;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]-10-methylacridin-10-ium-9-carboxylate;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methylacridin-10-ium-9-carbonyl]oxy-3,5-dimethylbenzoic acid;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methyl-9,9a-dihydro-4aH-acridine-9-carbonyl]oxy-3,5-dimethylbenzoic acid;methane;methylsulfanylmethane;methyl trifluoromethanesulfonate;bis(trifluoromethanesulfonate) (PubChem CID 162172631) has the molecular formula C191H171Cl2F9N4O45P4S4 and a molecular weight of 3736.50 g/mol. Its IUPAC name is dichloromethane;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]acridine-9-carboxylate;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]-10-methylacridin-10-ium-9-carboxylate;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methylacridin-10-ium-9-carbonyl]oxy-3,5-dimethylbenzoic acid;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methyl-9,9a-dihydro-4aH-acridine-9-carbonyl]oxy-3,5-dimethylbenzoic acid;methane;methylsulfanylmethane;methyl trifluoromethanesulfonate;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namedichloromethane;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]acridine-9-carboxylate;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]-10-methylacridin-10-ium-9-carboxylate;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methylacridin-10-ium-9-carbonyl]oxy-3,5-dimethylbenzoic acid;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methyl-9,9a-dihydro-4aH-acridine-9-carbonyl]oxy-3,5-dimethylbenzoic acid;methane;methylsulfanylmethane;methyl trifluoromethanesulfonate;bis(trifluoromethanesulfonate)
PubChem CID162172631
Molecular FormulaC191H171Cl2F9N4O45P4S4
Molecular Weight3736.50 g/mol
Exact Mass3732.83
IUPAC Namedichloromethane;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]acridine-9-carboxylate;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]-10-methylacridin-10-ium-9-carboxylate;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methylacridin-10-ium-9-carbonyl]oxy-3,5-dimethylbenzoic acid;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methyl-9,9a-dihydro-4aH-acridine-9-carbonyl]oxy-3,5-dimethylbenzoic acid;methane;methylsulfanylmethane;methyl trifluoromethanesulfonate;bis(trifluoromethanesulfonate)
SMILESC.COS(=O)(=O)C(F)(F)F.CSC.Cc1cc(C(=O)O)cc(C)c1OC(=O)C1c2ccccc2N(C)C2C=C(/C(=C/c3ccc(O)cc3)OP(=O)(O)O)C=CC12.Cc1cc(C(=O)O)cc(C)c1OC(=O)c1c2ccccc2[n+](C)c2cc(/C(=C/c3ccc(O)cc3)OP(=O)(O)O)ccc12.Cc1cc(C(=O)OCc2ccccc2)cc(C)c1OC(=O)c1c2ccccc2[n+](C)c2cc(/C(=C/c3ccc(OCc4ccccc4)cc3)OP(=O)(OCc3ccccc3)OCc3ccccc3)ccc12.Cc1cc(C(=O)OCc2ccccc2)cc(C)c1OC(=O)c1c2ccccc2nc2cc(/C(=C/c3ccc(OCc4ccccc4)cc3)OP(=O)(OCc3ccccc3)OCc3ccccc3)ccc12.ClCCl.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C60H51NO9P.C59H48NO9P.C32H30NO9P.C32H26NO9P.C2H3F3O3S.C2H6S.CH2Cl2.2CHF3O3S.CH4/c1-42-34-50(59(62)66-39-46-20-10-5-11-21-46)35-43(2)58(42)69-60(63)57-52-26-16-17-27-54(52)61(3)55-37-49(30-33-53(55)57)56(36-44-28-31-51(32-29-44)65-38-45-18-8-4-9-19-45)70-71(64,67-40-47-22-12-6-13-23-47)68-41-48-24-14-7-15-25-48;1-41-33-49(58(61)65-38-45-19-9-4-10-20-45)34-42(2)57(41)68-59(62)56-51-25-15-16-26-53(51)60-54-36-48(29-32-52(54)56)55(35-43-27-30-50(31-28-43)64-37-44-17-7-3-8-18-44)69-70(63,66-39-46-21-11-5-12-22-46)67-40-47-23-13-6-14-24-47;2*1-18-14-22(31(35)36)15-19(2)30(18)41-32(37)29-24-6-4-5-7-26(24)33(3)27-17-21(10-13-25(27)29)28(42-43(38,39)40)16-20-8-11-23(34)12-9-20;1-8-9(6,7)2(3,4)5;1-3-2;2-1-3;2*2-1(3,4)8(5,6)7;/h4-37H,38-41H2,1-3H3;3-36H,37-40H2,1-2H3;4-17,25,27,29,34H,1-3H3,(H,35,36)(H2,38,39,40);4-17H,1-3H3,(H3,35,36,38,39,40);1H3;1-2H3;1H2;2*(H,5,6,7);1H4/q+1;;;;;;;;;/p-1/b56-36-;55-35-;28-16-;;;;;;;
InChIKeyZNZJSSHNINEUCO-RUGUQJDISA-M
XLogP42.63
TPSA696.02 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds51
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003736.50
LogP ≤ 542.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze dichloromethane;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]acridine-9-carboxylate;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]-10-methylacridin-10-ium-9-carboxylate;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methylacridin-10-ium-9-carbonyl]oxy-3,5-dimethylbenzoic acid;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methyl-9,9a-dihydro-4aH-acridine-9-carbonyl]oxy-3,5-dimethylbenzoic acid;methane;methylsulfanylmethane;methyl trifluoromethanesulfonate;bis(trifluoromethanesulfonate) with MolForge

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Related Compounds

(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]acridine-9-carboxylate
CID 58704028
4-[3-[2-(4-hydroxyphenyl)acetyl]-10-methyl-9,9a-dihydro-4aH-acridine-9-carbonyl]oxy-3,5-dimethylbenzoic acid;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methyl-9,9a-dihydro-4aH-acridine-9-carbonyl]oxy-3,5-dimethylbenzoic acid
CID 161475215
4-[3-[2-(4-hydroxyphenyl)acetyl]-10-methylacridin-10-ium-9-carbonyl]oxy-3,5-dimethylbenzoic acid;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methylacridin-10-ium-9-carbonyl]oxy-3,5-dimethylbenzoic acid;bis(trifluoromethanesulfonate)
CID 158975462
4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methylacridin-10-ium-9-carbonyl]oxy-3,5-dimethylbenzoic acid
CID 21043490
4-[3-[2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methylacridin-10-ium-9-carbonyl]oxy-3,5-dimethylbenzoic acid
CID 72649326
[(Z)-1-[9-(4-carboxy-2,6-dimethylphenoxy)carbonyl-10-methyl-9,9a-dihydro-4aH-acridin-3-yl]-2-(4-hydroxyphenyl)ethenoxy]-trihydroxyphosphanium
CID 21043500
(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 2-dimethoxyphosphoryloxyacridine-9-carboxylate
CID 21043522
(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 10-methylacridin-10-ium-9-carboxylate
CID 14855202
(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-ethoxybenzo[b]acridine-12-carboxylate
CID 21459665
4-[9-(2,6-dimethyl-4-phenylmethoxycarbonylphenoxy)carbonyl-3-[2-(4-methoxyphenyl)ethenyl]-9H-acridin-10-yl]butane-1-sulfonic acid
CID 173123743
[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-2,6-dimethylphenyl] 10-methylacridin-10-ium-9-carboxylate;trifluoromethanesulfonate
CID 139025619
disodium;[9-(4-carboxy-2,6-dimethylphenoxy)carbonyl-10-methylacridin-10-ium-2-yl] phosphate
CID 21043525

Frequently Asked Questions

What is the IUPAC name of dichloromethane;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]acridine-9-carboxylate;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]-10-methylacridin-10-ium-9-carboxylate;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methylacridin-10-ium-9-carbonyl]oxy-3,5-dimethylbenzoic acid;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methyl-9,9a-dihydro-4aH-acridine-9-carbonyl]oxy-3,5-dimethylbenzoic acid;methane;methylsulfanylmethane;methyl trifluoromethanesulfonate;bis(trifluoromethanesulfonate)?
The IUPAC name of dichloromethane;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]acridine-9-carboxylate;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]-10-methylacridin-10-ium-9-carboxylate;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methylacridin-10-ium-9-carbonyl]oxy-3,5-dimethylbenzoic acid;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methyl-9,9a-dihydro-4aH-acridine-9-carbonyl]oxy-3,5-dimethylbenzoic acid;methane;methylsulfanylmethane;methyl trifluoromethanesulfonate;bis(trifluoromethanesulfonate) (CID 162172631) is dichloromethane;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]acridine-9-carboxylate;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]-10-methylacridin-10-ium-9-carboxylate;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methylacridin-10-ium-9-carbonyl]oxy-3,5-dimethylbenzoic acid;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methyl-9,9a-dihydro-4aH-acridine-9-carbonyl]oxy-3,5-dimethylbenzoic acid;methane;methylsulfanylmethane;methyl trifluoromethanesulfonate;bis(trifluoromethanesulfonate).
What is the SMILES notation for dichloromethane;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]acridine-9-carboxylate;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]-10-methylacridin-10-ium-9-carboxylate;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methylacridin-10-ium-9-carbonyl]oxy-3,5-dimethylbenzoic acid;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methyl-9,9a-dihydro-4aH-acridine-9-carbonyl]oxy-3,5-dimethylbenzoic acid;methane;methylsulfanylmethane;methyl trifluoromethanesulfonate;bis(trifluoromethanesulfonate)?
The canonical SMILES for dichloromethane;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]acridine-9-carboxylate;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]-10-methylacridin-10-ium-9-carboxylate;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methylacridin-10-ium-9-carbonyl]oxy-3,5-dimethylbenzoic acid;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methyl-9,9a-dihydro-4aH-acridine-9-carbonyl]oxy-3,5-dimethylbenzoic acid;methane;methylsulfanylmethane;methyl trifluoromethanesulfonate;bis(trifluoromethanesulfonate) is C.COS(=O)(=O)C(F)(F)F.CSC.Cc1cc(C(=O)O)cc(C)c1OC(=O)C1c2ccccc2N(C)C2C=C(/C(=C/c3ccc(O)cc3)OP(=O)(O)O)C=CC12.Cc1cc(C(=O)O)cc(C)c1OC(=O)c1c2ccccc2[n+](C)c2cc(/C(=C/c3ccc(O)cc3)OP(=O)(O)O)ccc12.Cc1cc(C(=O)OCc2ccccc2)cc(C)c1OC(=O)c1c2ccccc2[n+](C)c2cc(/C(=C/c3ccc(OCc4ccccc4)cc3)OP(=O)(OCc3ccccc3)OCc3ccccc3)ccc12.Cc1cc(C(=O)OCc2ccccc2)cc(C)c1OC(=O)c1c2ccccc2nc2cc(/C(=C/c3ccc(OCc4ccccc4)cc3)OP(=O)(OCc3ccccc3)OCc3ccccc3)ccc12.ClCCl.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of dichloromethane;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]acridine-9-carboxylate;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]-10-methylacridin-10-ium-9-carboxylate;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methylacridin-10-ium-9-carbonyl]oxy-3,5-dimethylbenzoic acid;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methyl-9,9a-dihydro-4aH-acridine-9-carbonyl]oxy-3,5-dimethylbenzoic acid;methane;methylsulfanylmethane;methyl trifluoromethanesulfonate;bis(trifluoromethanesulfonate)?
The InChIKey is ZNZJSSHNINEUCO-RUGUQJDISA-M. The full InChI is InChI=1S/C60H51NO9P.C59H48NO9P.C32H30NO9P.C32H26NO9P.C2H3F3O3S.C2H6S.CH2Cl2.2CHF3O3S.CH4/c1-42-34-50(59(62)66-39-46-20-10-5-11-21-46)35-43(2)58(42)69-60(63)57-52-26-16-17-27-54(52)61(3)55-37-49(30-33-53(55)57)56(36-44-28-31-51(32-29-44)65-38-45-18-8-4-9-19-45)70-71(64,67-40-47-22-12-6-13-23-47)68-41-48-24-14-7-15-25-48;1-41-33-49(58(61)65-38-45-19-9-4-10-20-45)34-42(2)57(41)68-59(62)56-51-25-15-16-26-53(51)60-54-36-48(29-32-52(54)56)55(35-43-27-30-50(31-28-43)64-37-44-17-7-3-8-18-44)69-70(63,66-39-46-21-11-5-12-22-46)67-40-47-23-13-6-14-24-47;2*1-18-14-22(31(35)36)15-19(2)30(18)41-32(37)29-24-6-4-5-7-26(24)33(3)27-17-21(10-13-25(27)29)28(42-43(38,39)40)16-20-8-11-23(34)12-9-20;1-8-9(6,7)2(3,4)5;1-3-2;2-1-3;2*2-1(3,4)8(5,6)7;/h4-37H,38-41H2,1-3H3;3-36H,37-40H2,1-2H3;4-17,25,27,29,34H,1-3H3,(H,35,36)(H2,38,39,40);4-17H,1-3H3,(H3,35,36,38,39,40);1H3;1-2H3;1H2;2*(H,5,6,7);1H4/q+1;;;;;;;;;/p-1/b56-36-;55-35-;28-16-;;;;;;;.
What are the key properties of dichloromethane;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]acridine-9-carboxylate;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]-10-methylacridin-10-ium-9-carboxylate;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methylacridin-10-ium-9-carbonyl]oxy-3,5-dimethylbenzoic acid;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methyl-9,9a-dihydro-4aH-acridine-9-carbonyl]oxy-3,5-dimethylbenzoic acid;methane;methylsulfanylmethane;methyl trifluoromethanesulfonate;bis(trifluoromethanesulfonate)?
dichloromethane;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]acridine-9-carboxylate;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]-10-methylacridin-10-ium-9-carboxylate;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methylacridin-10-ium-9-carbonyl]oxy-3,5-dimethylbenzoic acid;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methyl-9,9a-dihydro-4aH-acridine-9-carbonyl]oxy-3,5-dimethylbenzoic acid;methane;methylsulfanylmethane;methyl trifluoromethanesulfonate;bis(trifluoromethanesulfonate) has a molecular weight of 3736.50 g/mol, XLogP of 42.63, 51 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]acridine-9-carboxylate;(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]-10-methylacridin-10-ium-9-carboxylate;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methylacridin-10-ium-9-carbonyl]oxy-3,5-dimethylbenzoic acid;4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methyl-9,9a-dihydro-4aH-acridine-9-carbonyl]oxy-3,5-dimethylbenzoic acid;methane;methylsulfanylmethane;methyl trifluoromethanesulfonate;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 162172631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).