pentasodium;4-[bis[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]methyl]benzene-1,3-disulfonate;1-bromo-3-methylbenzene;4-formylbenzene-1,3-disulfonate;4-[[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]-[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate;4-nitrobenzoyl chloride;1-(4-nitrophenyl)-2-[2,4,6-trimethyl-3-[(3-methylphenyl)methyl]phenyl]ethanone;2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione;2,4,6-trimethylbenzene-1,3-diamine;2,4,6-trimethyl-3-[(3-methylphenyl)methyl]aniline

C188H174BrCl5N13Na5O39S6 — CID 161440181

IUPACpentasodium;4-[bis[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]methyl]benzene-1,3-disulfonate;1-bromo-3-methylbenzene;4-formylbenzene-1,3-disulfonate;4-[[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]-[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate;4-nitrobenzoyl chloride;1-(4-nitrophenyl)-2-[2,4,6-trimethyl-3-[(3-methylphenyl)methyl]phenyl]ethanone;2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione;2,4,6-trimethylbenzene-1,3-diamine;2,4,6-trimethyl-3-[(3-methylphenyl)methyl]aniline
SMILESCC1=C/C(=[NH+]\c2c(C)cc(C)c(CC(=O)c3ccc([N+](=O)[O-])cc3)c2C)C=CC1=C(c1ccc(Nc2c(C)cc(C)c(CC(=O)c3ccc([N+](=O)[O-])cc3)c2C)cc1C)c1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-].Cc1cc(C)c(N)c(C)c1N.Cc1cc(Nc2c(C)cc(C)c(CC(=O)c3ccc([N+](=O)[O-])cc3)c2C)ccc1C(c1ccc(Nc2c(C)cc(C)c(CC(=O)c3ccc([N+](=O)[O-])cc3)c2C)cc1C)c1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-].Cc1cccc(Br)c1.Cc1cccc(Cc2c(C)cc(C)c(CC(=O)c3ccc([N+](=O)[O-])cc3)c2C)c1.Cc1cccc(Cc2c(C)cc(C)c(N)c2C)c1.O=C(Cl)c1ccc([N+](=O)[O-])cc1.O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl.O=Cc1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C55H52N4O12S2.C55H50N4O12S2.C25H25NO3.C17H21N.C9H14N2.C7H7Br.C7H4ClNO3.C7H6O7S2.C6Cl4O2.5Na/c2*1-30-23-34(5)54(36(7)48(30)28-50(60)38-9-15-42(16-10-38)58(62)63)56-40-13-20-45(32(3)25-40)53(47-22-19-44(72(66,67)68)27-52(47)73(69,70)71)46-21-14-41(26-33(46)4)57-55-35(6)24-31(2)49(37(55)8)29-51(61)39-11-17-43(18-12-39)59(64)65;1-16-6-5-7-20(12-16)14-23-17(2)13-18(3)24(19(23)4)15-25(27)21-8-10-22(11-9-21)26(28)29;1-11-6-5-7-15(8-11)10-16-12(2)9-13(3)17(18)14(16)4;1-5-4-6(2)9(11)7(3)8(5)10;1-6-3-2-4-7(8)5-6;8-7(10)5-1-3-6(4-2-5)9(11)12;8-4-5-1-2-6(15(9,10)11)3-7(5)16(12,13)14;7-1-2(8)6(12)4(10)3(9)5(1)11;;;;;/h9-27,53,56-57H,28-29H2,1-8H3,(H,66,67,68)(H,69,70,71);9-27,56H,28-29H2,1-8H3,(H,66,67,68)(H,69,70,71);5-13H,14-15H2,1-4H3;5-9H,10,18H2,1-4H3;4H,10-11H2,1-3H3;2-5H,1H3;1-4H;1-4H,(H,9,10,11)(H,12,13,14);;;;;;/q;;;;;;;;;5*+1/p-5/b;53-46?,57-41-;;;;;;;;;;;;
InChIKeyLDRKCUNRSJSWNU-NDJBTNQYSA-I
MW3804.03 g/mol
LogP23.82
Rot. Bonds45

About pentasodium;4-[bis[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]methyl]benzene-1,3-disulfonate;1-bromo-3-methylbenzene;4-formylbenzene-1,3-disulfonate;4-[[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]-[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate;4-nitrobenzoyl chloride;1-(4-nitrophenyl)-2-[2,4,6-trimethyl-3-[(3-methylphenyl)methyl]phenyl]ethanone;2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione;2,4,6-trimethylbenzene-1,3-diamine;2,4,6-trimethyl-3-[(3-methylphenyl)methyl]aniline

pentasodium;4-[bis[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]methyl]benzene-1,3-disulfonate;1-bromo-3-methylbenzene;4-formylbenzene-1,3-disulfonate;4-[[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]-[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate;4-nitrobenzoyl chloride;1-(4-nitrophenyl)-2-[2,4,6-trimethyl-3-[(3-methylphenyl)methyl]phenyl]ethanone;2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione;2,4,6-trimethylbenzene-1,3-diamine;2,4,6-trimethyl-3-[(3-methylphenyl)methyl]aniline (PubChem CID 161440181) has the molecular formula C188H174BrCl5N13Na5O39S6 and a molecular weight of 3804.03 g/mol. Its IUPAC name is pentasodium;4-[bis[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]methyl]benzene-1,3-disulfonate;1-bromo-3-methylbenzene;4-formylbenzene-1,3-disulfonate;4-[[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]-[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate;4-nitrobenzoyl chloride;1-(4-nitrophenyl)-2-[2,4,6-trimethyl-3-[(3-methylphenyl)methyl]phenyl]ethanone;2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione;2,4,6-trimethylbenzene-1,3-diamine;2,4,6-trimethyl-3-[(3-methylphenyl)methyl]aniline.

Molecular Properties

Compound Namepentasodium;4-[bis[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]methyl]benzene-1,3-disulfonate;1-bromo-3-methylbenzene;4-formylbenzene-1,3-disulfonate;4-[[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]-[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate;4-nitrobenzoyl chloride;1-(4-nitrophenyl)-2-[2,4,6-trimethyl-3-[(3-methylphenyl)methyl]phenyl]ethanone;2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione;2,4,6-trimethylbenzene-1,3-diamine;2,4,6-trimethyl-3-[(3-methylphenyl)methyl]aniline
PubChem CID161440181
Molecular FormulaC188H174BrCl5N13Na5O39S6
Molecular Weight3804.03 g/mol
Exact Mass3797.75
IUPAC Namepentasodium;4-[bis[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]methyl]benzene-1,3-disulfonate;1-bromo-3-methylbenzene;4-formylbenzene-1,3-disulfonate;4-[[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]-[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate;4-nitrobenzoyl chloride;1-(4-nitrophenyl)-2-[2,4,6-trimethyl-3-[(3-methylphenyl)methyl]phenyl]ethanone;2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione;2,4,6-trimethylbenzene-1,3-diamine;2,4,6-trimethyl-3-[(3-methylphenyl)methyl]aniline
SMILESCC1=C/C(=[NH+]\c2c(C)cc(C)c(CC(=O)c3ccc([N+](=O)[O-])cc3)c2C)C=CC1=C(c1ccc(Nc2c(C)cc(C)c(CC(=O)c3ccc([N+](=O)[O-])cc3)c2C)cc1C)c1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-].Cc1cc(C)c(N)c(C)c1N.Cc1cc(Nc2c(C)cc(C)c(CC(=O)c3ccc([N+](=O)[O-])cc3)c2C)ccc1C(c1ccc(Nc2c(C)cc(C)c(CC(=O)c3ccc([N+](=O)[O-])cc3)c2C)cc1C)c1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-].Cc1cccc(Br)c1.Cc1cccc(Cc2c(C)cc(C)c(CC(=O)c3ccc([N+](=O)[O-])cc3)c2C)c1.Cc1cccc(Cc2c(C)cc(C)c(N)c2C)c1.O=C(Cl)c1ccc([N+](=O)[O-])cc1.O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl.O=Cc1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C55H52N4O12S2.C55H50N4O12S2.C25H25NO3.C17H21N.C9H14N2.C7H7Br.C7H4ClNO3.C7H6O7S2.C6Cl4O2.5Na/c2*1-30-23-34(5)54(36(7)48(30)28-50(60)38-9-15-42(16-10-38)58(62)63)56-40-13-20-45(32(3)25-40)53(47-22-19-44(72(66,67)68)27-52(47)73(69,70)71)46-21-14-41(26-33(46)4)57-55-35(6)24-31(2)49(37(55)8)29-51(61)39-11-17-43(18-12-39)59(64)65;1-16-6-5-7-20(12-16)14-23-17(2)13-18(3)24(19(23)4)15-25(27)21-8-10-22(11-9-21)26(28)29;1-11-6-5-7-15(8-11)10-16-12(2)9-13(3)17(18)14(16)4;1-5-4-6(2)9(11)7(3)8(5)10;1-6-3-2-4-7(8)5-6;8-7(10)5-1-3-6(4-2-5)9(11)12;8-4-5-1-2-6(15(9,10)11)3-7(5)16(12,13)14;7-1-2(8)6(12)4(10)3(9)5(1)11;;;;;/h9-27,53,56-57H,28-29H2,1-8H3,(H,66,67,68)(H,69,70,71);9-27,56H,28-29H2,1-8H3,(H,66,67,68)(H,69,70,71);5-13H,14-15H2,1-4H3;5-9H,10,18H2,1-4H3;4H,10-11H2,1-3H3;2-5H,1H3;1-4H;1-4H,(H,9,10,11)(H,12,13,14);;;;;;/q;;;;;;;;;5*+1/p-5/b;53-46?,57-41-;;;;;;;;;;;;
InChIKeyLDRKCUNRSJSWNU-NDJBTNQYSA-I
XLogP23.82
TPSA883.79 Ų
H-Bond Donors7
H-Bond Acceptors45
Rotatable Bonds45
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003804.03
LogP ≤ 523.82
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1045

Analyze pentasodium;4-[bis[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]methyl]benzene-1,3-disulfonate;1-bromo-3-methylbenzene;4-formylbenzene-1,3-disulfonate;4-[[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]-[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate;4-nitrobenzoyl chloride;1-(4-nitrophenyl)-2-[2,4,6-trimethyl-3-[(3-methylphenyl)methyl]phenyl]ethanone;2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione;2,4,6-trimethylbenzene-1,3-diamine;2,4,6-trimethyl-3-[(3-methylphenyl)methyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of pentasodium;4-[bis[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]methyl]benzene-1,3-disulfonate;1-bromo-3-methylbenzene;4-formylbenzene-1,3-disulfonate;4-[[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]-[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate;4-nitrobenzoyl chloride;1-(4-nitrophenyl)-2-[2,4,6-trimethyl-3-[(3-methylphenyl)methyl]phenyl]ethanone;2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione;2,4,6-trimethylbenzene-1,3-diamine;2,4,6-trimethyl-3-[(3-methylphenyl)methyl]aniline?
The IUPAC name of pentasodium;4-[bis[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]methyl]benzene-1,3-disulfonate;1-bromo-3-methylbenzene;4-formylbenzene-1,3-disulfonate;4-[[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]-[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate;4-nitrobenzoyl chloride;1-(4-nitrophenyl)-2-[2,4,6-trimethyl-3-[(3-methylphenyl)methyl]phenyl]ethanone;2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione;2,4,6-trimethylbenzene-1,3-diamine;2,4,6-trimethyl-3-[(3-methylphenyl)methyl]aniline (CID 161440181) is pentasodium;4-[bis[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]methyl]benzene-1,3-disulfonate;1-bromo-3-methylbenzene;4-formylbenzene-1,3-disulfonate;4-[[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]-[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate;4-nitrobenzoyl chloride;1-(4-nitrophenyl)-2-[2,4,6-trimethyl-3-[(3-methylphenyl)methyl]phenyl]ethanone;2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione;2,4,6-trimethylbenzene-1,3-diamine;2,4,6-trimethyl-3-[(3-methylphenyl)methyl]aniline.
What is the SMILES notation for pentasodium;4-[bis[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]methyl]benzene-1,3-disulfonate;1-bromo-3-methylbenzene;4-formylbenzene-1,3-disulfonate;4-[[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]-[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate;4-nitrobenzoyl chloride;1-(4-nitrophenyl)-2-[2,4,6-trimethyl-3-[(3-methylphenyl)methyl]phenyl]ethanone;2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione;2,4,6-trimethylbenzene-1,3-diamine;2,4,6-trimethyl-3-[(3-methylphenyl)methyl]aniline?
The canonical SMILES for pentasodium;4-[bis[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]methyl]benzene-1,3-disulfonate;1-bromo-3-methylbenzene;4-formylbenzene-1,3-disulfonate;4-[[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]-[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate;4-nitrobenzoyl chloride;1-(4-nitrophenyl)-2-[2,4,6-trimethyl-3-[(3-methylphenyl)methyl]phenyl]ethanone;2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione;2,4,6-trimethylbenzene-1,3-diamine;2,4,6-trimethyl-3-[(3-methylphenyl)methyl]aniline is CC1=C/C(=[NH+]\c2c(C)cc(C)c(CC(=O)c3ccc([N+](=O)[O-])cc3)c2C)C=CC1=C(c1ccc(Nc2c(C)cc(C)c(CC(=O)c3ccc([N+](=O)[O-])cc3)c2C)cc1C)c1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-].Cc1cc(C)c(N)c(C)c1N.Cc1cc(Nc2c(C)cc(C)c(CC(=O)c3ccc([N+](=O)[O-])cc3)c2C)ccc1C(c1ccc(Nc2c(C)cc(C)c(CC(=O)c3ccc([N+](=O)[O-])cc3)c2C)cc1C)c1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-].Cc1cccc(Br)c1.Cc1cccc(Cc2c(C)cc(C)c(CC(=O)c3ccc([N+](=O)[O-])cc3)c2C)c1.Cc1cccc(Cc2c(C)cc(C)c(N)c2C)c1.O=C(Cl)c1ccc([N+](=O)[O-])cc1.O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl.O=Cc1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of pentasodium;4-[bis[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]methyl]benzene-1,3-disulfonate;1-bromo-3-methylbenzene;4-formylbenzene-1,3-disulfonate;4-[[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]-[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate;4-nitrobenzoyl chloride;1-(4-nitrophenyl)-2-[2,4,6-trimethyl-3-[(3-methylphenyl)methyl]phenyl]ethanone;2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione;2,4,6-trimethylbenzene-1,3-diamine;2,4,6-trimethyl-3-[(3-methylphenyl)methyl]aniline?
The InChIKey is LDRKCUNRSJSWNU-NDJBTNQYSA-I. The full InChI is InChI=1S/C55H52N4O12S2.C55H50N4O12S2.C25H25NO3.C17H21N.C9H14N2.C7H7Br.C7H4ClNO3.C7H6O7S2.C6Cl4O2.5Na/c2*1-30-23-34(5)54(36(7)48(30)28-50(60)38-9-15-42(16-10-38)58(62)63)56-40-13-20-45(32(3)25-40)53(47-22-19-44(72(66,67)68)27-52(47)73(69,70)71)46-21-14-41(26-33(46)4)57-55-35(6)24-31(2)49(37(55)8)29-51(61)39-11-17-43(18-12-39)59(64)65;1-16-6-5-7-20(12-16)14-23-17(2)13-18(3)24(19(23)4)15-25(27)21-8-10-22(11-9-21)26(28)29;1-11-6-5-7-15(8-11)10-16-12(2)9-13(3)17(18)14(16)4;1-5-4-6(2)9(11)7(3)8(5)10;1-6-3-2-4-7(8)5-6;8-7(10)5-1-3-6(4-2-5)9(11)12;8-4-5-1-2-6(15(9,10)11)3-7(5)16(12,13)14;7-1-2(8)6(12)4(10)3(9)5(1)11;;;;;/h9-27,53,56-57H,28-29H2,1-8H3,(H,66,67,68)(H,69,70,71);9-27,56H,28-29H2,1-8H3,(H,66,67,68)(H,69,70,71);5-13H,14-15H2,1-4H3;5-9H,10,18H2,1-4H3;4H,10-11H2,1-3H3;2-5H,1H3;1-4H;1-4H,(H,9,10,11)(H,12,13,14);;;;;;/q;;;;;;;;;5*+1/p-5/b;53-46?,57-41-;;;;;;;;;;;;.
What are the key properties of pentasodium;4-[bis[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]methyl]benzene-1,3-disulfonate;1-bromo-3-methylbenzene;4-formylbenzene-1,3-disulfonate;4-[[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]-[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate;4-nitrobenzoyl chloride;1-(4-nitrophenyl)-2-[2,4,6-trimethyl-3-[(3-methylphenyl)methyl]phenyl]ethanone;2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione;2,4,6-trimethylbenzene-1,3-diamine;2,4,6-trimethyl-3-[(3-methylphenyl)methyl]aniline?
pentasodium;4-[bis[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]methyl]benzene-1,3-disulfonate;1-bromo-3-methylbenzene;4-formylbenzene-1,3-disulfonate;4-[[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]-[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate;4-nitrobenzoyl chloride;1-(4-nitrophenyl)-2-[2,4,6-trimethyl-3-[(3-methylphenyl)methyl]phenyl]ethanone;2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione;2,4,6-trimethylbenzene-1,3-diamine;2,4,6-trimethyl-3-[(3-methylphenyl)methyl]aniline has a molecular weight of 3804.03 g/mol, XLogP of 23.82, 45 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for pentasodium;4-[bis[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]methyl]benzene-1,3-disulfonate;1-bromo-3-methylbenzene;4-formylbenzene-1,3-disulfonate;4-[[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]anilino]phenyl]-[2-methyl-4-[2,4,6-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate;4-nitrobenzoyl chloride;1-(4-nitrophenyl)-2-[2,4,6-trimethyl-3-[(3-methylphenyl)methyl]phenyl]ethanone;2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione;2,4,6-trimethylbenzene-1,3-diamine;2,4,6-trimethyl-3-[(3-methylphenyl)methyl]aniline is sourced from PubChem (CID 161440181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).