dilithium;3-(5-methoxy-1H-indol-3-yl)-1H-indole-2-carboxylic acid;3-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid;methyl 3-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate;tributyl-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]stannane;dihydroxide

C104H105Li2N7O20S4Sn — CID 159261687

IUPACdilithium;3-(5-methoxy-1H-indol-3-yl)-1H-indole-2-carboxylic acid;3-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid;methyl 3-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate;tributyl-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]stannane;dihydroxide
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc12.COC(=O)c1c(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccc(OC)cc23)c2ccccc2n1S(=O)(=O)c1ccc(C)cc1.COc1ccc2[nH]cc(-c3c(C(=O)O)[nH]c4ccccc34)c2c1.COc1ccc2[nH]cc(-c3c(C(=O)O)n(S(=O)(=O)c4ccc(C)cc4)c4ccccc34)c2c1.[Li+].[Li+].[OH-].[OH-]
InChIInChI=1S/C33H28N2O7S2.C25H20N2O5S.C18H14N2O3.C16H14NO3S.3C4H9.2Li.2H2O.Sn/c1-21-9-14-24(15-10-21)43(37,38)34-20-28(27-19-23(41-3)13-18-29(27)34)31-26-7-5-6-8-30(26)35(32(31)33(36)42-4)44(39,40)25-16-11-22(2)12-17-25;1-15-7-10-17(11-8-15)33(30,31)27-22-6-4-3-5-18(22)23(24(27)25(28)29)20-14-26-21-12-9-16(32-2)13-19(20)21;1-23-10-6-7-14-12(8-10)13(9-19-14)16-11-4-2-3-5-15(11)20-17(16)18(21)22;1-12-3-6-15(7-4-12)21(18,19)17-10-9-13-11-14(20-2)5-8-16(13)17;3*1-3-4-2;;;;;/h5-20H,1-4H3;3-14,26H,1-2H3,(H,28,29);2-9,19-20H,1H3,(H,21,22);3-8,10-11H,1-2H3;3*1,3-4H2,2H3;;;2*1H2;/q;;;;;;;2*+1;;;/p-2
InChIKeyKWOYLNQHBXCBDY-UHFFFAOYSA-L
MW2033.87 g/mol
LogP16.12
Rot. Bonds28

About dilithium;3-(5-methoxy-1H-indol-3-yl)-1H-indole-2-carboxylic acid;3-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid;methyl 3-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate;tributyl-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]stannane;dihydroxide

dilithium;3-(5-methoxy-1H-indol-3-yl)-1H-indole-2-carboxylic acid;3-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid;methyl 3-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate;tributyl-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]stannane;dihydroxide (PubChem CID 159261687) has the molecular formula C104H105Li2N7O20S4Sn and a molecular weight of 2033.87 g/mol. Its IUPAC name is dilithium;3-(5-methoxy-1H-indol-3-yl)-1H-indole-2-carboxylic acid;3-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid;methyl 3-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate;tributyl-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]stannane;dihydroxide.

Molecular Properties

Compound Namedilithium;3-(5-methoxy-1H-indol-3-yl)-1H-indole-2-carboxylic acid;3-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid;methyl 3-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate;tributyl-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]stannane;dihydroxide
PubChem CID159261687
Molecular FormulaC104H105Li2N7O20S4Sn
Molecular Weight2033.87 g/mol
Exact Mass2033.56
IUPAC Namedilithium;3-(5-methoxy-1H-indol-3-yl)-1H-indole-2-carboxylic acid;3-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid;methyl 3-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate;tributyl-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]stannane;dihydroxide
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc12.COC(=O)c1c(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccc(OC)cc23)c2ccccc2n1S(=O)(=O)c1ccc(C)cc1.COc1ccc2[nH]cc(-c3c(C(=O)O)[nH]c4ccccc34)c2c1.COc1ccc2[nH]cc(-c3c(C(=O)O)n(S(=O)(=O)c4ccc(C)cc4)c4ccccc34)c2c1.[Li+].[Li+].[OH-].[OH-]
InChIInChI=1S/C33H28N2O7S2.C25H20N2O5S.C18H14N2O3.C16H14NO3S.3C4H9.2Li.2H2O.Sn/c1-21-9-14-24(15-10-21)43(37,38)34-20-28(27-19-23(41-3)13-18-29(27)34)31-26-7-5-6-8-30(26)35(32(31)33(36)42-4)44(39,40)25-16-11-22(2)12-17-25;1-15-7-10-17(11-8-15)33(30,31)27-22-6-4-3-5-18(22)23(24(27)25(28)29)20-14-26-21-12-9-16(32-2)13-19(20)21;1-23-10-6-7-14-12(8-10)13(9-19-14)16-11-4-2-3-5-15(11)20-17(16)18(21)22;1-12-3-6-15(7-4-12)21(18,19)17-10-9-13-11-14(20-2)5-8-16(13)17;3*1-3-4-2;;;;;/h5-20H,1-4H3;3-14,26H,1-2H3,(H,28,29);2-9,19-20H,1H3,(H,21,22);3-8,10-11H,1-2H3;3*1,3-4H2,2H3;;;2*1H2;/q;;;;;;;2*+1;;;/p-2
InChIKeyKWOYLNQHBXCBDY-UHFFFAOYSA-L
XLogP16.12
TPSA401.47 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds28
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002033.87
LogP ≤ 516.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze dilithium;3-(5-methoxy-1H-indol-3-yl)-1H-indole-2-carboxylic acid;3-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid;methyl 3-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate;tributyl-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]stannane;dihydroxide with MolForge

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Related Compounds

5-methoxy-1H-indole;3-(5-methoxy-1H-indol-3-yl)propanoic acid;3-[5-methoxy-1-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfonylindol-3-yl]propanoic acid;3-[5-methoxy-1-[2-[4-(trifluoromethyl)phenyl]ethylsulfonyl]indol-3-yl]propanoic acid
CID 157563083
methyl (3S)-6-hydroxy-1-[1-(4-methylphenyl)sulfonyl-5-phenylmethoxyindol-3-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 134848586
methyl (2S)-3-(5-hydroxy-1H-indol-3-yl)-2-[[1-(4-methylphenyl)sulfonyl-5-phenylmethoxyindol-3-yl]methylideneamino]propanoate
CID 134848588
Methyl 3-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate
CID 59364291
3-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid
CID 59364327
3-(5-methoxy-1H-indol-3-yl)-4-(4-methylphenyl)sulfonyl-1H-indole-2-carboxylic acid
CID 68888759
methane;4-methoxybenzenesulfonyl chloride;5-methoxy-1H-indole-3-carbaldehyde;(5-methoxy-1H-indol-3-yl)methanol;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoic acid;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate;methyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoate
CID 157208750
lithium;3-(1H-indol-3-yl)-1H-indole-4-carboxylic acid;methyl 1-(4-methylphenyl)sulfonyl-3-[1-(4-methylphenyl)sulfonylindol-3-yl]indole-4-carboxylate;methyl 1-(4-methylphenyl)sulfonyl-3-tributylstannylindole-4-carboxylate;hydroxide
CID 157671128
ethyl 2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate;ethyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]prop-2-enoate;5-methoxy-1H-indole-3-carbaldehyde;5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde;2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylic acid
CID 158071786
CID 158476025
CID 158476025
3-[dimethylamino(phenyl)methyl]-5-hydroxy-1H-indole-2-carboxylic acid;1-(1-ethyl-2-phenylindol-3-yl)-N,N-dimethyl-1-phenylmethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine
CID 158552404
dilithium;3-(1H-indol-3-yl)-1H-indole-2-carboxylic acid;3-(1H-indol-3-yl)-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid;1-(4-methylphenyl)sulfonyl-3-[1-(4-methylphenyl)sulfonylindol-3-yl]indole-2-carboxylic acid;tributyl-[1-(4-methylphenyl)sulfonylindol-3-yl]stannane;dihydroxide
CID 159210874

Frequently Asked Questions

What is the IUPAC name of dilithium;3-(5-methoxy-1H-indol-3-yl)-1H-indole-2-carboxylic acid;3-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid;methyl 3-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate;tributyl-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]stannane;dihydroxide?
The IUPAC name of dilithium;3-(5-methoxy-1H-indol-3-yl)-1H-indole-2-carboxylic acid;3-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid;methyl 3-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate;tributyl-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]stannane;dihydroxide (CID 159261687) is dilithium;3-(5-methoxy-1H-indol-3-yl)-1H-indole-2-carboxylic acid;3-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid;methyl 3-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate;tributyl-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]stannane;dihydroxide.
What is the SMILES notation for dilithium;3-(5-methoxy-1H-indol-3-yl)-1H-indole-2-carboxylic acid;3-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid;methyl 3-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate;tributyl-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]stannane;dihydroxide?
The canonical SMILES for dilithium;3-(5-methoxy-1H-indol-3-yl)-1H-indole-2-carboxylic acid;3-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid;methyl 3-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate;tributyl-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]stannane;dihydroxide is CCCC[Sn](CCCC)(CCCC)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc12.COC(=O)c1c(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccc(OC)cc23)c2ccccc2n1S(=O)(=O)c1ccc(C)cc1.COc1ccc2[nH]cc(-c3c(C(=O)O)[nH]c4ccccc34)c2c1.COc1ccc2[nH]cc(-c3c(C(=O)O)n(S(=O)(=O)c4ccc(C)cc4)c4ccccc34)c2c1.[Li+].[Li+].[OH-].[OH-].
What is the InChIKey of dilithium;3-(5-methoxy-1H-indol-3-yl)-1H-indole-2-carboxylic acid;3-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid;methyl 3-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate;tributyl-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]stannane;dihydroxide?
The InChIKey is KWOYLNQHBXCBDY-UHFFFAOYSA-L. The full InChI is InChI=1S/C33H28N2O7S2.C25H20N2O5S.C18H14N2O3.C16H14NO3S.3C4H9.2Li.2H2O.Sn/c1-21-9-14-24(15-10-21)43(37,38)34-20-28(27-19-23(41-3)13-18-29(27)34)31-26-7-5-6-8-30(26)35(32(31)33(36)42-4)44(39,40)25-16-11-22(2)12-17-25;1-15-7-10-17(11-8-15)33(30,31)27-22-6-4-3-5-18(22)23(24(27)25(28)29)20-14-26-21-12-9-16(32-2)13-19(20)21;1-23-10-6-7-14-12(8-10)13(9-19-14)16-11-4-2-3-5-15(11)20-17(16)18(21)22;1-12-3-6-15(7-4-12)21(18,19)17-10-9-13-11-14(20-2)5-8-16(13)17;3*1-3-4-2;;;;;/h5-20H,1-4H3;3-14,26H,1-2H3,(H,28,29);2-9,19-20H,1H3,(H,21,22);3-8,10-11H,1-2H3;3*1,3-4H2,2H3;;;2*1H2;/q;;;;;;;2*+1;;;/p-2.
What are the key properties of dilithium;3-(5-methoxy-1H-indol-3-yl)-1H-indole-2-carboxylic acid;3-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid;methyl 3-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate;tributyl-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]stannane;dihydroxide?
dilithium;3-(5-methoxy-1H-indol-3-yl)-1H-indole-2-carboxylic acid;3-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid;methyl 3-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate;tributyl-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]stannane;dihydroxide has a molecular weight of 2033.87 g/mol, XLogP of 16.12, 28 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;3-(5-methoxy-1H-indol-3-yl)-1H-indole-2-carboxylic acid;3-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid;methyl 3-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate;tributyl-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]stannane;dihydroxide is sourced from PubChem (CID 159261687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).