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

C99H95Li2N7O16S4Sn — CID 159210874

IUPACdilithium;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
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12.Cc1ccc(S(=O)(=O)n2c(C(=O)O)c(-c3c[nH]c4ccccc34)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3c(C(=O)O)n(S(=O)(=O)c4ccc(C)cc4)c4ccccc34)c3ccccc32)cc1.O=C(O)c1[nH]c2ccccc2c1-c1c[nH]c2ccccc12.[Li+].[Li+].[OH-].[OH-]
InChIInChI=1S/C31H24N2O6S2.C24H18N2O4S.C17H12N2O2.C15H12NO2S.3C4H9.2Li.2H2O.Sn/c1-20-11-15-22(16-12-20)40(36,37)32-19-26(24-7-3-5-9-27(24)32)29-25-8-4-6-10-28(25)33(30(29)31(34)35)41(38,39)23-17-13-21(2)14-18-23;1-15-10-12-16(13-11-15)31(29,30)26-21-9-5-3-7-18(21)22(23(26)24(27)28)19-14-25-20-8-4-2-6-17(19)20;20-17(21)16-15(11-6-2-4-8-14(11)19-16)12-9-18-13-7-3-1-5-10(12)13;1-12-6-8-14(9-7-12)19(17,18)16-11-10-13-4-2-3-5-15(13)16;3*1-3-4-2;;;;;/h3-19H,1-2H3,(H,34,35);2-14,25H,1H3,(H,27,28);1-9,18-19H,(H,20,21);2-9,11H,1H3;3*1,3-4H2,2H3;;;2*1H2;/q;;;;;;;2*+1;;;/p-2
InChIKeyKQMBYOVDANIMNH-UHFFFAOYSA-L
MW1899.74 g/mol
LogP16.00
Rot. Bonds24

About 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

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 (PubChem CID 159210874) has the molecular formula C99H95Li2N7O16S4Sn and a molecular weight of 1899.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namedilithium;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
PubChem CID159210874
Molecular FormulaC99H95Li2N7O16S4Sn
Molecular Weight1899.74 g/mol
Exact Mass1899.51
IUPAC Namedilithium;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
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12.Cc1ccc(S(=O)(=O)n2c(C(=O)O)c(-c3c[nH]c4ccccc34)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3c(C(=O)O)n(S(=O)(=O)c4ccc(C)cc4)c4ccccc34)c3ccccc32)cc1.O=C(O)c1[nH]c2ccccc2c1-c1c[nH]c2ccccc12.[Li+].[Li+].[OH-].[OH-]
InChIInChI=1S/C31H24N2O6S2.C24H18N2O4S.C17H12N2O2.C15H12NO2S.3C4H9.2Li.2H2O.Sn/c1-20-11-15-22(16-12-20)40(36,37)32-19-26(24-7-3-5-9-27(24)32)29-25-8-4-6-10-28(25)33(30(29)31(34)35)41(38,39)23-17-13-21(2)14-18-23;1-15-10-12-16(13-11-15)31(29,30)26-21-9-5-3-7-18(21)22(23(26)24(27)28)19-14-25-20-8-4-2-6-17(19)20;20-17(21)16-15(11-6-2-4-8-14(11)19-16)12-9-18-13-7-3-1-5-10(12)13;1-12-6-8-14(9-7-12)19(17,18)16-11-10-13-4-2-3-5-15(13)16;3*1-3-4-2;;;;;/h3-19H,1-2H3,(H,34,35);2-14,25H,1H3,(H,27,28);1-9,18-19H,(H,20,21);2-9,11H,1H3;3*1,3-4H2,2H3;;;2*1H2;/q;;;;;;;2*+1;;;/p-2
InChIKeyKQMBYOVDANIMNH-UHFFFAOYSA-L
XLogP16.00
TPSA375.55 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001899.74
LogP ≤ 516.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Related Compounds

3-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid
CID 59364327
dimethyl 3-[1-(benzenesulfonyl)indol-3-yl]-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate
CID 102167878
tributyl-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]stannane
CID 59364221
1-(4-butylphenyl)sulfonylindole-3-carboxylic acid
CID 59596767
N,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine
CID 177498842
tributyl-[1-(4-methylphenyl)sulfonyl-3-phenylmethoxypyrazol-4-yl]stannane
CID 67014928
lithium;3-(5-chloro-1H-indol-4-yl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;ethyl 3-[5-chloro-1-(4-methylphenyl)sulfonylindol-4-yl]-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylate;methane;hydroxide
CID 158460955
dimethyl 3,4-bis[1-(benzenesulfonyl)indol-3-yl]-1H-pyrrole-2,5-dicarboxylate
CID 45103267
3-benzyl-8-[1-(4-methylphenyl)sulfonylindol-3-yl]-3,5,7,10-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11,13,15-heptaene
CID 101145362
ethyl 4-[1-(benzenesulfonyl)indol-3-yl]-1H-pyrrole-3-carboxylate
CID 25222910
2-hexyl-1-(4-methylphenyl)sulfonylquinolin-4-one
CID 132575549
1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole
CID 11244980

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCC[Sn](CCCC)(CCCC)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12.Cc1ccc(S(=O)(=O)n2c(C(=O)O)c(-c3c[nH]c4ccccc34)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3c(C(=O)O)n(S(=O)(=O)c4ccc(C)cc4)c4ccccc34)c3ccccc32)cc1.O=C(O)c1[nH]c2ccccc2c1-c1c[nH]c2ccccc12.[Li+].[Li+].[OH-].[OH-].
What is the InChIKey of 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?
The InChIKey is KQMBYOVDANIMNH-UHFFFAOYSA-L. The full InChI is InChI=1S/C31H24N2O6S2.C24H18N2O4S.C17H12N2O2.C15H12NO2S.3C4H9.2Li.2H2O.Sn/c1-20-11-15-22(16-12-20)40(36,37)32-19-26(24-7-3-5-9-27(24)32)29-25-8-4-6-10-28(25)33(30(29)31(34)35)41(38,39)23-17-13-21(2)14-18-23;1-15-10-12-16(13-11-15)31(29,30)26-21-9-5-3-7-18(21)22(23(26)24(27)28)19-14-25-20-8-4-2-6-17(19)20;20-17(21)16-15(11-6-2-4-8-14(11)19-16)12-9-18-13-7-3-1-5-10(12)13;1-12-6-8-14(9-7-12)19(17,18)16-11-10-13-4-2-3-5-15(13)16;3*1-3-4-2;;;;;/h3-19H,1-2H3,(H,34,35);2-14,25H,1H3,(H,27,28);1-9,18-19H,(H,20,21);2-9,11H,1H3;3*1,3-4H2,2H3;;;2*1H2;/q;;;;;;;2*+1;;;/p-2.
What are the key properties of 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?
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 has a molecular weight of 1899.74 g/mol, XLogP of 16.00, 24 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159210874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).