About pentakis(carbon dioxide);N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;4-methyl-2-pyridin-2-ylpyridine;3-(4-propan-2-yl-2-pyridinyl)-9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indole;tetrakis(2-pyridin-2-ylpyridine-4-carboxylic acid);1-pyridin-2-yl-9-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indole;pentakis(ruthenium(2+));3-(4-thiophen-2-yl-2-pyridinyl)-9H-pyrido[3,4-b]indole;9-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-3-[4-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-2-pyridinyl]pyrido[3,4-b]indole;decaisothiocyanate
pentakis(carbon dioxide);N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;4-methyl-2-pyridin-2-ylpyridine;3-(4-propan-2-yl-2-pyridinyl)-9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indole;tetrakis(2-pyridin-2-ylpyridine-4-carboxylic acid);1-pyridin-2-yl-9-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indole;pentakis(ruthenium(2+));3-(4-thiophen-2-yl-2-pyridinyl)-9H-pyrido[3,4-b]indole;9-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-3-[4-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-2-pyridinyl]pyrido[3,4-b]indole;decaisothiocyanate (PubChem CID 159299271) has the molecular formula C219H132N38O18Ru5S27
and a molecular weight of 4954.87 g/mol. Its IUPAC name is pentakis(carbon dioxide);N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;4-methyl-2-pyridin-2-ylpyridine;3-(4-propan-2-yl-2-pyridinyl)-9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indole;tetrakis(2-pyridin-2-ylpyridine-4-carboxylic acid);1-pyridin-2-yl-9-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indole;pentakis(ruthenium(2+));3-(4-thiophen-2-yl-2-pyridinyl)-9H-pyrido[3,4-b]indole;9-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-3-[4-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-2-pyridinyl]pyrido[3,4-b]indole;decaisothiocyanate.
Frequently Asked Questions
What is the IUPAC name of pentakis(carbon dioxide);N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;4-methyl-2-pyridin-2-ylpyridine;3-(4-propan-2-yl-2-pyridinyl)-9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indole;tetrakis(2-pyridin-2-ylpyridine-4-carboxylic acid);1-pyridin-2-yl-9-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indole;pentakis(ruthenium(2+));3-(4-thiophen-2-yl-2-pyridinyl)-9H-pyrido[3,4-b]indole;9-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-3-[4-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-2-pyridinyl]pyrido[3,4-b]indole;decaisothiocyanate?
The IUPAC name of pentakis(carbon dioxide);N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;4-methyl-2-pyridin-2-ylpyridine;3-(4-propan-2-yl-2-pyridinyl)-9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indole;tetrakis(2-pyridin-2-ylpyridine-4-carboxylic acid);1-pyridin-2-yl-9-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indole;pentakis(ruthenium(2+));3-(4-thiophen-2-yl-2-pyridinyl)-9H-pyrido[3,4-b]indole;9-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-3-[4-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-2-pyridinyl]pyrido[3,4-b]indole;decaisothiocyanate (CID 159299271) is pentakis(carbon dioxide);N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;4-methyl-2-pyridin-2-ylpyridine;3-(4-propan-2-yl-2-pyridinyl)-9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indole;tetrakis(2-pyridin-2-ylpyridine-4-carboxylic acid);1-pyridin-2-yl-9-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indole;pentakis(ruthenium(2+));3-(4-thiophen-2-yl-2-pyridinyl)-9H-pyrido[3,4-b]indole;9-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-3-[4-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-2-pyridinyl]pyrido[3,4-b]indole;decaisothiocyanate.
What is the SMILES notation for pentakis(carbon dioxide);N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;4-methyl-2-pyridin-2-ylpyridine;3-(4-propan-2-yl-2-pyridinyl)-9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indole;tetrakis(2-pyridin-2-ylpyridine-4-carboxylic acid);1-pyridin-2-yl-9-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indole;pentakis(ruthenium(2+));3-(4-thiophen-2-yl-2-pyridinyl)-9H-pyrido[3,4-b]indole;9-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-3-[4-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-2-pyridinyl]pyrido[3,4-b]indole;decaisothiocyanate?
The canonical SMILES for pentakis(carbon dioxide);N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;4-methyl-2-pyridin-2-ylpyridine;3-(4-propan-2-yl-2-pyridinyl)-9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indole;tetrakis(2-pyridin-2-ylpyridine-4-carboxylic acid);1-pyridin-2-yl-9-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indole;pentakis(ruthenium(2+));3-(4-thiophen-2-yl-2-pyridinyl)-9H-pyrido[3,4-b]indole;9-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-3-[4-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-2-pyridinyl]pyrido[3,4-b]indole;decaisothiocyanate is CC(C)c1ccnc(-c2cc3c4ccccc4n(-c4ccc(-c5cccs5)s4)c3cn2)c1.Cc1ccnc(-c2ccccn2)c1.O=C(O)c1ccnc(-c2ccccn2)c1.O=C(O)c1ccnc(-c2ccccn2)c1.O=C(O)c1ccnc(-c2ccccn2)c1.O=C(O)c1ccnc(-c2ccccn2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].c1ccc(-c2nccc3c4ccccc4n(-c4cc5sc(-c6cccs6)cc5s4)c23)nc1.c1ccc(N(c2ccnc(-c3cc4c5ccccc5n(-c5cc6scc(-c7cccs7)c6s5)c4cn3)c2)c2ccccn2)nc1.c1ccc2c(c1)c1cc(-c3cc(-c4ccc(-c5cc6sc7ccsc7c6s5)s4)ccn3)ncc1n2-c1ccc(-c2cc3sc4ccsc4c3s2)s1.c1csc(-c2ccnc(-c3cc4c(cn3)[nH]c3ccccc34)c2)c1.
What is the InChIKey of pentakis(carbon dioxide);N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;4-methyl-2-pyridin-2-ylpyridine;3-(4-propan-2-yl-2-pyridinyl)-9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indole;tetrakis(2-pyridin-2-ylpyridine-4-carboxylic acid);1-pyridin-2-yl-9-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indole;pentakis(ruthenium(2+));3-(4-thiophen-2-yl-2-pyridinyl)-9H-pyrido[3,4-b]indole;9-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-3-[4-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-2-pyridinyl]pyrido[3,4-b]indole;decaisothiocyanate?
The InChIKey is LBCUDSOWYDZZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H19N3S8.C36H22N6S3.C27H21N3S2.C26H15N3S3.C20H13N3S.4C11H8N2O2.C11H10N2.10CNS.5CO2.5Ru/c1-2-4-25-21(3-1)22-16-24(42-19-26(22)43(25)36-8-7-29(49-36)33-18-35-40(51-33)38-31(48-35)11-14-45-38)23-15-20(9-12-41-23)27-5-6-28(46-27)32-17-34-39(50-32)37-30(47-34)10-13-44-37;1-2-9-29-24(8-1)25-19-28(27-18-23(13-16-37-27)41(33-11-3-5-14-38-33)34-12-4-6-15-39-34)40-21-30(25)42(29)35-20-32-36(45-35)26(22-44-32)31-10-7-17-43-31;1-17(2)18-11-12-28-21(14-18)22-15-20-19-6-3-4-7-23(19)30(24(20)16-29-22)27-10-9-26(32-27)25-8-5-13-31-25;1-2-8-19-16(6-1)17-10-12-28-25(18-7-3-4-11-27-18)26(17)29(19)24-15-23-22(32-24)14-21(31-23)20-9-5-13-30-20;1-2-5-16-14(4-1)15-11-18(22-12-19(15)23-16)17-10-13(7-8-21-17)20-6-3-9-24-20;4*14-11(15)8-4-6-13-10(7-8)9-3-1-2-5-12-9;1-9-5-7-13-11(8-9)10-4-2-3-6-12-10;15*2-1-3;;;;;/h1-19H;1-22H;3-17H,1-2H3;1-15H;1-12,23H;4*1-7H,(H,14,15);2-8H,1H3;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;10*-1;;;;;;5*+2.
What are the key properties of pentakis(carbon dioxide);N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;4-methyl-2-pyridin-2-ylpyridine;3-(4-propan-2-yl-2-pyridinyl)-9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indole;tetrakis(2-pyridin-2-ylpyridine-4-carboxylic acid);1-pyridin-2-yl-9-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indole;pentakis(ruthenium(2+));3-(4-thiophen-2-yl-2-pyridinyl)-9H-pyrido[3,4-b]indole;9-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-3-[4-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-2-pyridinyl]pyrido[3,4-b]indole;decaisothiocyanate?
pentakis(carbon dioxide);N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;4-methyl-2-pyridin-2-ylpyridine;3-(4-propan-2-yl-2-pyridinyl)-9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indole;tetrakis(2-pyridin-2-ylpyridine-4-carboxylic acid);1-pyridin-2-yl-9-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indole;pentakis(ruthenium(2+));3-(4-thiophen-2-yl-2-pyridinyl)-9H-pyrido[3,4-b]indole;9-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-3-[4-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-2-pyridinyl]pyrido[3,4-b]indole;decaisothiocyanate has a molecular weight of 4954.87 g/mol, XLogP of 61.23, 29 rotatable bonds, 5 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(carbon dioxide);N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;4-methyl-2-pyridin-2-ylpyridine;3-(4-propan-2-yl-2-pyridinyl)-9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indole;tetrakis(2-pyridin-2-ylpyridine-4-carboxylic acid);1-pyridin-2-yl-9-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indole;pentakis(ruthenium(2+));3-(4-thiophen-2-yl-2-pyridinyl)-9H-pyrido[3,4-b]indole;9-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-3-[4-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-2-pyridinyl]pyrido[3,4-b]indole;decaisothiocyanate is sourced from PubChem (CID 159299271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).