pentakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-[(2-methylphenyl)methyl]-4-[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(1-phenylethyl)-4-[1-(1-phenylethyl)pyridin-1-ium-4-yl]pyridin-1-ium

C249H203N10O30S10+5 — CID 157298514

IUPACpentakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-[(2-methylphenyl)methyl]-4-[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(1-phenylethyl)-4-[1-(1-phenylethyl)pyridin-1-ium-4-yl]pyridin-1-ium
SMILESCC(C)C[n+]1ccc(-c2cc[n+](CC(C)C)cc2)cc1.CC(c1ccccc1)[n+]1ccc(-c2cc[n+](C(C)c3ccccc3)cc2)cc1.C[n+]1ccc(-c2cc[n+](C)cc2)cc1.Cc1ccccc1C[n+]1ccc(-c2cc[n+](Cc3ccccc3C)cc2)cc1.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.c1ccc2c(C[n+]3ccc(-c4cc[n+](Cc5cccc6ccccc56)cc4)cc3)cccc2c1
InChIInChI=1S/C32H26N2.5C27H18O6S2.2C26H26N2.C18H26N2.C12H14N2/c1-3-13-31-27(7-1)9-5-11-29(31)23-33-19-15-25(16-20-33)26-17-21-34(22-18-26)24-30-12-6-10-28-8-2-4-14-32(28)30;5*28-26-20-10-4-6-12-22(20)34(30,31)24(26)16-14-19(18-8-2-1-3-9-18)15-17-25-27(29)21-11-5-7-13-23(21)35(25,32)33;1-21-7-3-5-9-25(21)19-27-15-11-23(12-16-27)24-13-17-28(18-14-24)20-26-10-6-4-8-22(26)2;1-21(23-9-5-3-6-10-23)27-17-13-25(14-18-27)26-15-19-28(20-16-26)22(2)24-11-7-4-8-12-24;1-15(2)13-19-9-5-17(6-10-19)18-7-11-20(12-8-18)14-16(3)4;1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h1-22H,23-24H2;5*1-17,28H;3-18H,19-20H2,1-2H3;3-22H,1-2H3;5-12,15-16H,13-14H2,1-4H3;3-10H,1-2H3/q+2;;;;;;4*+2/p-5
InChIKeyBBPVAUIUDSKSBV-UHFFFAOYSA-I
MW4136.07 g/mol
LogP38.85
Rot. Bonds41

About pentakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-[(2-methylphenyl)methyl]-4-[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(1-phenylethyl)-4-[1-(1-phenylethyl)pyridin-1-ium-4-yl]pyridin-1-ium

pentakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-[(2-methylphenyl)methyl]-4-[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(1-phenylethyl)-4-[1-(1-phenylethyl)pyridin-1-ium-4-yl]pyridin-1-ium (PubChem CID 157298514) has the molecular formula C249H203N10O30S10+5 and a molecular weight of 4136.07 g/mol. Its IUPAC name is pentakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-[(2-methylphenyl)methyl]-4-[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(1-phenylethyl)-4-[1-(1-phenylethyl)pyridin-1-ium-4-yl]pyridin-1-ium.

Molecular Properties

Compound Namepentakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-[(2-methylphenyl)methyl]-4-[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(1-phenylethyl)-4-[1-(1-phenylethyl)pyridin-1-ium-4-yl]pyridin-1-ium
PubChem CID157298514
Molecular FormulaC249H203N10O30S10+5
Molecular Weight4136.07 g/mol
Exact Mass4132.18
IUPAC Namepentakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-[(2-methylphenyl)methyl]-4-[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(1-phenylethyl)-4-[1-(1-phenylethyl)pyridin-1-ium-4-yl]pyridin-1-ium
SMILESCC(C)C[n+]1ccc(-c2cc[n+](CC(C)C)cc2)cc1.CC(c1ccccc1)[n+]1ccc(-c2cc[n+](C(C)c3ccccc3)cc2)cc1.C[n+]1ccc(-c2cc[n+](C)cc2)cc1.Cc1ccccc1C[n+]1ccc(-c2cc[n+](Cc3ccccc3C)cc2)cc1.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.c1ccc2c(C[n+]3ccc(-c4cc[n+](Cc5cccc6ccccc56)cc4)cc3)cccc2c1
InChIInChI=1S/C32H26N2.5C27H18O6S2.2C26H26N2.C18H26N2.C12H14N2/c1-3-13-31-27(7-1)9-5-11-29(31)23-33-19-15-25(16-20-33)26-17-21-34(22-18-26)24-30-12-6-10-28-8-2-4-14-32(28)30;5*28-26-20-10-4-6-12-22(20)34(30,31)24(26)16-14-19(18-8-2-1-3-9-18)15-17-25-27(29)21-11-5-7-13-23(21)35(25,32)33;1-21-7-3-5-9-25(21)19-27-15-11-23(12-16-27)24-13-17-28(18-14-24)20-26-10-6-4-8-22(26)2;1-21(23-9-5-3-6-10-23)27-17-13-25(14-18-27)26-15-19-28(20-16-26)22(2)24-11-7-4-8-12-24;1-15(2)13-19-9-5-17(6-10-19)18-7-11-20(12-8-18)14-16(3)4;1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h1-22H,23-24H2;5*1-17,28H;3-18H,19-20H2,1-2H3;3-22H,1-2H3;5-12,15-16H,13-14H2,1-4H3;3-10H,1-2H3/q+2;;;;;;4*+2/p-5
InChIKeyBBPVAUIUDSKSBV-UHFFFAOYSA-I
XLogP38.85
TPSA580.85 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds41
Heavy Atoms299
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004136.07
LogP ≤ 538.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze pentakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-[(2-methylphenyl)methyl]-4-[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(1-phenylethyl)-4-[1-(1-phenylethyl)pyridin-1-ium-4-yl]pyridin-1-ium with MolForge

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Related Compounds

2-[3-Methyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium
CID 90708162
1,1-Dioxo-2-[3-pyridin-4-yl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium
CID 90716877
1,1-Dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate;1-[(2-methylphenyl)methyl]-4-[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 90777950
1,1-Dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate;1-(1-phenylethyl)-4-[1-(1-phenylethyl)pyridin-1-ium-4-yl]pyridin-1-ium
CID 90929543
Bis(1,1-dioxo-2-[2-[(1,1,3-trioxo-1-benzothiophen-2-ylidene)methyl]but-1-enyl]-1-benzothiophen-3-olate);1-(2-methylprop-2-enyl)-4-[1-(2-methylprop-2-enyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;2-[2-methyl-3-(1,1,3-trioxo-1-benzothiophen-2-ylidene)prop-1-enyl]-1,1-dioxo-1-benzothiophen-3-olate;1-(1-phenylethyl)-4-[1-(1-phenylethyl)pyridin-1-ium-4-yl]pyridin-1-ium
CID 90947754
Tris(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);1-(2-phenylethyl)-4-[1-(2-phenylethyl)pyridin-1-ium-4-yl]pyridin-1-ium
CID 91019080
1,1-Dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium
CID 91052472
1-Benzyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1,1-dioxo-2-[3-phenoxy-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate;bis(2-[3-methoxy-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate);1-(1-phenylethyl)-4-[1-(1-phenylethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(2-phenylethyl)-4-[1-(2-phenylethyl)pyridin-1-ium-4-yl]pyridin-1-ium
CID 91137255
1-(3,3-Dimethylbut-1-ynyl)-4-[1-(3,3-dimethylbut-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium;tris(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);1-(2-methylprop-1-enyl)-4-[1-(2-methylprop-1-enyl)pyridin-1-ium-4-yl]pyridin-1-ium;2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate
CID 91446457
1-(2,6-Diethylphenyl)-4-[1-(2,6-diethylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate
CID 91478282
2-[2-Methyl-3-(1,1,3-trioxo-1-benzothiophen-2-ylidene)prop-1-enyl]-1,1-dioxo-1-benzothiophen-3-olate;1-(1-phenylethyl)-4-[1-(1-phenylethyl)pyridin-1-ium-4-yl]pyridin-1-ium
CID 91543536
1-Cyclohex-2-en-1-yl-4-(1-cyclohex-2-en-1-ylpyridin-1-ium-4-yl)pyridin-1-ium;1-(cyclohexylmethyl)-4-[1-(cyclohexylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(2,6-diethylphenyl)-4-[1-(2,6-diethylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;bis(1,1-dioxo-2-[2-phenyl-3-(1,1,3-trioxo-1-benzothiophen-2-ylidene)prop-1-enyl]-1-benzothiophen-3-olate);bis(1,1-dioxo-2-[2-pyridin-4-yl-3-(1,1,3-trioxo-1-benzothiophen-2-ylidene)prop-1-enyl]-1-benzothiophen-3-olate);methane;1-[(2-methylphenyl)methyl]-4-[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;molecular hydrogen
CID 157802920

Frequently Asked Questions

What is the IUPAC name of pentakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-[(2-methylphenyl)methyl]-4-[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(1-phenylethyl)-4-[1-(1-phenylethyl)pyridin-1-ium-4-yl]pyridin-1-ium?
The IUPAC name of pentakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-[(2-methylphenyl)methyl]-4-[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(1-phenylethyl)-4-[1-(1-phenylethyl)pyridin-1-ium-4-yl]pyridin-1-ium (CID 157298514) is pentakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-[(2-methylphenyl)methyl]-4-[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(1-phenylethyl)-4-[1-(1-phenylethyl)pyridin-1-ium-4-yl]pyridin-1-ium.
What is the SMILES notation for pentakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-[(2-methylphenyl)methyl]-4-[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(1-phenylethyl)-4-[1-(1-phenylethyl)pyridin-1-ium-4-yl]pyridin-1-ium?
The canonical SMILES for pentakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-[(2-methylphenyl)methyl]-4-[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(1-phenylethyl)-4-[1-(1-phenylethyl)pyridin-1-ium-4-yl]pyridin-1-ium is CC(C)C[n+]1ccc(-c2cc[n+](CC(C)C)cc2)cc1.CC(c1ccccc1)[n+]1ccc(-c2cc[n+](C(C)c3ccccc3)cc2)cc1.C[n+]1ccc(-c2cc[n+](C)cc2)cc1.Cc1ccccc1C[n+]1ccc(-c2cc[n+](Cc3ccccc3C)cc2)cc1.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.c1ccc2c(C[n+]3ccc(-c4cc[n+](Cc5cccc6ccccc56)cc4)cc3)cccc2c1.
What is the InChIKey of pentakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-[(2-methylphenyl)methyl]-4-[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(1-phenylethyl)-4-[1-(1-phenylethyl)pyridin-1-ium-4-yl]pyridin-1-ium?
The InChIKey is BBPVAUIUDSKSBV-UHFFFAOYSA-I. The full InChI is InChI=1S/C32H26N2.5C27H18O6S2.2C26H26N2.C18H26N2.C12H14N2/c1-3-13-31-27(7-1)9-5-11-29(31)23-33-19-15-25(16-20-33)26-17-21-34(22-18-26)24-30-12-6-10-28-8-2-4-14-32(28)30;5*28-26-20-10-4-6-12-22(20)34(30,31)24(26)16-14-19(18-8-2-1-3-9-18)15-17-25-27(29)21-11-5-7-13-23(21)35(25,32)33;1-21-7-3-5-9-25(21)19-27-15-11-23(12-16-27)24-13-17-28(18-14-24)20-26-10-6-4-8-22(26)2;1-21(23-9-5-3-6-10-23)27-17-13-25(14-18-27)26-15-19-28(20-16-26)22(2)24-11-7-4-8-12-24;1-15(2)13-19-9-5-17(6-10-19)18-7-11-20(12-8-18)14-16(3)4;1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h1-22H,23-24H2;5*1-17,28H;3-18H,19-20H2,1-2H3;3-22H,1-2H3;5-12,15-16H,13-14H2,1-4H3;3-10H,1-2H3/q+2;;;;;;4*+2/p-5.
What are the key properties of pentakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-[(2-methylphenyl)methyl]-4-[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(1-phenylethyl)-4-[1-(1-phenylethyl)pyridin-1-ium-4-yl]pyridin-1-ium?
pentakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-[(2-methylphenyl)methyl]-4-[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(1-phenylethyl)-4-[1-(1-phenylethyl)pyridin-1-ium-4-yl]pyridin-1-ium has a molecular weight of 4136.07 g/mol, XLogP of 38.85, 41 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-[(2-methylphenyl)methyl]-4-[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(1-phenylethyl)-4-[1-(1-phenylethyl)pyridin-1-ium-4-yl]pyridin-1-ium is sourced from PubChem (CID 157298514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).