hexakis(carbon dioxide);5-[6-[3-[9-[6-(3-hydroxy-4,5-dimethylphenyl)naphthalen-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-9-yl]naphthalen-2-yl]benzene-1,2,3-triol;9-methyl-6-(4-methylphenyl)-3-[6-(4-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;2-[3-[9-methyl-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-3-yl]-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-9-yl]acetic acid;pentakis(2-pyridin-2-ylpyridine-4-carboxylic acid);pentakis(ruthenium(2+));9-thieno[3,2-b]thiophen-5-yl-3-(9-thieno[3,2-b]thiophen-5-ylpyrido[3,4-b]indol-3-yl)pyrido[3,4-b]indole;9-(5-thiophen-2-ylthiophen-2-yl)-3-[9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;decaisothiocyanate

C285H180N40O28Ru5S20 — CID 157060246

IUPAChexakis(carbon dioxide);5-[6-[3-[9-[6-(3-hydroxy-4,5-dimethylphenyl)naphthalen-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-9-yl]naphthalen-2-yl]benzene-1,2,3-triol;9-methyl-6-(4-methylphenyl)-3-[6-(4-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;2-[3-[9-methyl-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-3-yl]-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-9-yl]acetic acid;pentakis(2-pyridin-2-ylpyridine-4-carboxylic acid);pentakis(ruthenium(2+));9-thieno[3,2-b]thiophen-5-yl-3-(9-thieno[3,2-b]thiophen-5-ylpyrido[3,4-b]indol-3-yl)pyrido[3,4-b]indole;9-(5-thiophen-2-ylthiophen-2-yl)-3-[9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;decaisothiocyanate
SMILESCc1ccc(-c2ccc3[nH]c4cnc(-c5cc6c7cc(-c8ccc(C)cc8)ccc7n(C)c6cn5)cc4c3c2)cc1.Cn1c2ccc(/C=C/c3cccs3)cc2c2cc(-c3cc4c5cc(/C=C/c6cccs6)ccc5n(CC(=O)O)c4cn3)ncc21.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)c1ccnc(-c2ccccn2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2cc(-c4cc5c6cc(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])ccc6n(-c6ccc7cc(-c8cc(O)c(O)c(O)c8)ccc7c6)c5cn4)ncc2n3-c2ccc3cc(-c4cc(C)c(C)c(O)c4)ccc3c2)c([2H])c1[2H].[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].c1ccc2c(c1)c1cc(-c3cc4c5ccccc5n(-c5cc6sccc6s5)c4cn3)ncc1n2-c1cc2sccc2s1.c1csc(-c2ccc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7n(-c7ccc(-c8cccs8)s7)c6cn5)ncc43)s2)c1
InChIInChI=1S/C68H46N4O4.C38H22N4S4.C37H26N4O2S2.C37H28N4.C34H18N4S4.5C11H8N2O2.10CNS.6CO2.5Ru/c1-39-25-51(32-65(73)40(39)2)45-13-15-47-28-53(21-17-43(47)26-45)71-61-23-19-49(41-9-5-3-6-10-41)30-55(61)57-35-59(69-37-63(57)71)60-36-58-56-31-50(42-11-7-4-8-12-42)20-24-62(56)72(64(58)38-70-60)54-22-18-44-27-46(14-16-48(44)29-54)52-33-66(74)68(76)67(75)34-52;1-3-9-29-23(7-1)25-19-27(39-21-31(25)41(29)37-15-13-35(45-37)33-11-5-17-43-33)28-20-26-24-8-2-4-10-30(24)42(32(26)22-40-28)38-16-14-36(46-38)34-12-6-18-44-34;1-40-33-12-8-23(6-10-25-4-2-14-44-25)16-27(33)29-18-31(38-20-35(29)40)32-19-30-28-17-24(7-11-26-5-3-15-45-26)9-13-34(28)41(22-37(42)43)36(30)21-39-32;1-22-4-8-24(9-5-22)26-12-14-32-28(16-26)29-18-33(38-20-35(29)40-32)34-19-31-30-17-27(25-10-6-23(2)7-11-25)13-15-36(30)41(3)37(31)21-39-34;1-3-7-25-19(5-1)21-13-23(35-17-27(21)37(25)33-15-31-29(41-33)9-11-39-31)24-14-22-20-6-2-4-8-26(20)38(28(22)18-36-24)34-16-32-30(42-34)10-12-40-32;5*14-11(15)8-4-6-13-10(7-8)9-3-1-2-5-12-9;16*2-1-3;;;;;/h3-38,73-76H,1-2H3;1-22H;2-21H,22H2,1H3,(H,42,43);4-21,40H,1-3H3;1-18H;5*1-7H,(H,14,15);;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;10*-1;;;;;;;5*+2/b;;10-6+,11-7+;;;;;;;;;;;;;;;;;;;;;;;;;;;;/i3D,4D,5D,6D,7D,8D,9D,10D,11D,12D;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyABGBZHDSYINUDV-QKVDCMGESA-N
MW5769.58 g/mol
LogP70.66
Rot. Bonds35

About hexakis(carbon dioxide);5-[6-[3-[9-[6-(3-hydroxy-4,5-dimethylphenyl)naphthalen-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-9-yl]naphthalen-2-yl]benzene-1,2,3-triol;9-methyl-6-(4-methylphenyl)-3-[6-(4-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;2-[3-[9-methyl-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-3-yl]-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-9-yl]acetic acid;pentakis(2-pyridin-2-ylpyridine-4-carboxylic acid);pentakis(ruthenium(2+));9-thieno[3,2-b]thiophen-5-yl-3-(9-thieno[3,2-b]thiophen-5-ylpyrido[3,4-b]indol-3-yl)pyrido[3,4-b]indole;9-(5-thiophen-2-ylthiophen-2-yl)-3-[9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;decaisothiocyanate

hexakis(carbon dioxide);5-[6-[3-[9-[6-(3-hydroxy-4,5-dimethylphenyl)naphthalen-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-9-yl]naphthalen-2-yl]benzene-1,2,3-triol;9-methyl-6-(4-methylphenyl)-3-[6-(4-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;2-[3-[9-methyl-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-3-yl]-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-9-yl]acetic acid;pentakis(2-pyridin-2-ylpyridine-4-carboxylic acid);pentakis(ruthenium(2+));9-thieno[3,2-b]thiophen-5-yl-3-(9-thieno[3,2-b]thiophen-5-ylpyrido[3,4-b]indol-3-yl)pyrido[3,4-b]indole;9-(5-thiophen-2-ylthiophen-2-yl)-3-[9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;decaisothiocyanate (PubChem CID 157060246) has the molecular formula C285H180N40O28Ru5S20 and a molecular weight of 5769.58 g/mol. Its IUPAC name is hexakis(carbon dioxide);5-[6-[3-[9-[6-(3-hydroxy-4,5-dimethylphenyl)naphthalen-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-9-yl]naphthalen-2-yl]benzene-1,2,3-triol;9-methyl-6-(4-methylphenyl)-3-[6-(4-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;2-[3-[9-methyl-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-3-yl]-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-9-yl]acetic acid;pentakis(2-pyridin-2-ylpyridine-4-carboxylic acid);pentakis(ruthenium(2+));9-thieno[3,2-b]thiophen-5-yl-3-(9-thieno[3,2-b]thiophen-5-ylpyrido[3,4-b]indol-3-yl)pyrido[3,4-b]indole;9-(5-thiophen-2-ylthiophen-2-yl)-3-[9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;decaisothiocyanate.

Molecular Properties

Compound Namehexakis(carbon dioxide);5-[6-[3-[9-[6-(3-hydroxy-4,5-dimethylphenyl)naphthalen-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-9-yl]naphthalen-2-yl]benzene-1,2,3-triol;9-methyl-6-(4-methylphenyl)-3-[6-(4-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;2-[3-[9-methyl-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-3-yl]-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-9-yl]acetic acid;pentakis(2-pyridin-2-ylpyridine-4-carboxylic acid);pentakis(ruthenium(2+));9-thieno[3,2-b]thiophen-5-yl-3-(9-thieno[3,2-b]thiophen-5-ylpyrido[3,4-b]indol-3-yl)pyrido[3,4-b]indole;9-(5-thiophen-2-ylthiophen-2-yl)-3-[9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;decaisothiocyanate
PubChem CID157060246
Molecular FormulaC285H180N40O28Ru5S20
Molecular Weight5769.58 g/mol
Exact Mass5768.42
IUPAC Namehexakis(carbon dioxide);5-[6-[3-[9-[6-(3-hydroxy-4,5-dimethylphenyl)naphthalen-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-9-yl]naphthalen-2-yl]benzene-1,2,3-triol;9-methyl-6-(4-methylphenyl)-3-[6-(4-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;2-[3-[9-methyl-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-3-yl]-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-9-yl]acetic acid;pentakis(2-pyridin-2-ylpyridine-4-carboxylic acid);pentakis(ruthenium(2+));9-thieno[3,2-b]thiophen-5-yl-3-(9-thieno[3,2-b]thiophen-5-ylpyrido[3,4-b]indol-3-yl)pyrido[3,4-b]indole;9-(5-thiophen-2-ylthiophen-2-yl)-3-[9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;decaisothiocyanate
SMILESCc1ccc(-c2ccc3[nH]c4cnc(-c5cc6c7cc(-c8ccc(C)cc8)ccc7n(C)c6cn5)cc4c3c2)cc1.Cn1c2ccc(/C=C/c3cccs3)cc2c2cc(-c3cc4c5cc(/C=C/c6cccs6)ccc5n(CC(=O)O)c4cn3)ncc21.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)c1ccnc(-c2ccccn2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2cc(-c4cc5c6cc(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])ccc6n(-c6ccc7cc(-c8cc(O)c(O)c(O)c8)ccc7c6)c5cn4)ncc2n3-c2ccc3cc(-c4cc(C)c(C)c(O)c4)ccc3c2)c([2H])c1[2H].[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].c1ccc2c(c1)c1cc(-c3cc4c5ccccc5n(-c5cc6sccc6s5)c4cn3)ncc1n2-c1cc2sccc2s1.c1csc(-c2ccc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7n(-c7ccc(-c8cccs8)s7)c6cn5)ncc43)s2)c1
InChIInChI=1S/C68H46N4O4.C38H22N4S4.C37H26N4O2S2.C37H28N4.C34H18N4S4.5C11H8N2O2.10CNS.6CO2.5Ru/c1-39-25-51(32-65(73)40(39)2)45-13-15-47-28-53(21-17-43(47)26-45)71-61-23-19-49(41-9-5-3-6-10-41)30-55(61)57-35-59(69-37-63(57)71)60-36-58-56-31-50(42-11-7-4-8-12-42)20-24-62(56)72(64(58)38-70-60)54-22-18-44-27-46(14-16-48(44)29-54)52-33-66(74)68(76)67(75)34-52;1-3-9-29-23(7-1)25-19-27(39-21-31(25)41(29)37-15-13-35(45-37)33-11-5-17-43-33)28-20-26-24-8-2-4-10-30(24)42(32(26)22-40-28)38-16-14-36(46-38)34-12-6-18-44-34;1-40-33-12-8-23(6-10-25-4-2-14-44-25)16-27(33)29-18-31(38-20-35(29)40)32-19-30-28-17-24(7-11-26-5-3-15-45-26)9-13-34(28)41(22-37(42)43)36(30)21-39-32;1-22-4-8-24(9-5-22)26-12-14-32-28(16-26)29-18-33(38-20-35(29)40-32)34-19-31-30-17-27(25-10-6-23(2)7-11-25)13-15-36(30)41(3)37(31)21-39-34;1-3-7-25-19(5-1)21-13-23(35-17-27(21)37(25)33-15-31-29(41-33)9-11-39-31)24-14-22-20-6-2-4-8-26(20)38(28(22)18-36-24)34-16-32-30(42-34)10-12-40-32;5*14-11(15)8-4-6-13-10(7-8)9-3-1-2-5-12-9;16*2-1-3;;;;;/h3-38,73-76H,1-2H3;1-22H;2-21H,22H2,1H3,(H,42,43);4-21,40H,1-3H3;1-18H;5*1-7H,(H,14,15);;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;10*-1;;;;;;;5*+2/b;;10-6+,11-7+;;;;;;;;;;;;;;;;;;;;;;;;;;;;/i3D,4D,5D,6D,7D,8D,9D,10D,11D,12D;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyABGBZHDSYINUDV-QKVDCMGESA-N
XLogP70.66
TPSA1050.52 Ų
H-Bond Donors11
H-Bond Acceptors71
Rotatable Bonds35
Heavy Atoms378
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005769.58
LogP ≤ 570.66
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1071

Analyze hexakis(carbon dioxide);5-[6-[3-[9-[6-(3-hydroxy-4,5-dimethylphenyl)naphthalen-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-9-yl]naphthalen-2-yl]benzene-1,2,3-triol;9-methyl-6-(4-methylphenyl)-3-[6-(4-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;2-[3-[9-methyl-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-3-yl]-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-9-yl]acetic acid;pentakis(2-pyridin-2-ylpyridine-4-carboxylic acid);pentakis(ruthenium(2+));9-thieno[3,2-b]thiophen-5-yl-3-(9-thieno[3,2-b]thiophen-5-ylpyrido[3,4-b]indol-3-yl)pyrido[3,4-b]indole;9-(5-thiophen-2-ylthiophen-2-yl)-3-[9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;decaisothiocyanate with MolForge

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Launch Full Analysis

Related Compounds

2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);9-thieno[3,2-b]thiophen-5-yl-3-(9-thieno[3,2-b]thiophen-5-ylpyrido[3,4-b]indol-3-yl)pyrido[3,4-b]indole;diisothiocyanate
CID 140711344
2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);9-(10-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-3-[9-(10-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;diisothiocyanate
CID 140711328
9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole;9-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)carbazole;2-(3-dibenzofuran-2-ylphenyl)-6-phenylpyridine;2-(3-dibenzofuran-2-ylphenyl)pyridine;2-dibenzothiophen-3-yl-4,6-diphenyl-1,3,5-triazine;9-(3,5-dimethylphenyl)-3-phenyl-6-pyridin-3-ylcarbazole;ethane;9-phenyl-3-(8-phenyldibenzofuran-2-yl)carbazole;3-(8-pyridin-3-yldibenzofuran-2-yl)pyridine;2-[3-(8-thiophen-2-yldibenzothiophen-2-yl)phenyl]pyridine
CID 157462295
3-pyridin-2-yl-9-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyrido[3,4-b]indole
CID 140711347
2-(4-carboxy-2-pyridinyl)-6-[4-[(E)-2-thieno[3,2-b]thiophen-5-ylethenyl]-2-pyridinyl]pyridine-4-carboxylic acid
CID 126728623
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-phenyl-3-pyridin-2-ylpyrido[3,4-b]indole
CID 88886703
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole;9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole;9-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)carbazole;2-(3-dibenzofuran-2-ylphenyl)-6-phenylpyridine;2-(3-dibenzofuran-2-ylphenyl)pyridine;9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole;3-(8-pyridin-3-yldibenzofuran-2-yl)pyridine;2-[3-(8-thiophen-2-yldibenzofuran-2-yl)phenyl]pyridine
CID 159643684
3-(9H-carbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118699073
9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole
CID 164817113
bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine;bis(ruthenium(2+));tetraisothiocyanate
CID 159959757
9-(3-carbazol-9-ylphenyl)-3-pyridin-2-ylpyrido[3,4-b]indole
CID 139574913
tetrakis(carbon dioxide);6-[5-carboxy-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]pyridine-3-carboxylic acid;4-methyl-2-pyridin-2-ylpyridine;osmium(2+);bis(4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine);4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-6-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine-3-carboxylic acid;4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine;bis(2-pyridin-2-ylpyridine-4-carboxylic acid);ruthenium;bis(ruthenium(2+));1,1,1-trifluoro-4-hydroxypent-3-en-2-one;diisothiocyanate;tetrathiocyanate
CID 159118332

Frequently Asked Questions

What is the IUPAC name of hexakis(carbon dioxide);5-[6-[3-[9-[6-(3-hydroxy-4,5-dimethylphenyl)naphthalen-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-9-yl]naphthalen-2-yl]benzene-1,2,3-triol;9-methyl-6-(4-methylphenyl)-3-[6-(4-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;2-[3-[9-methyl-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-3-yl]-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-9-yl]acetic acid;pentakis(2-pyridin-2-ylpyridine-4-carboxylic acid);pentakis(ruthenium(2+));9-thieno[3,2-b]thiophen-5-yl-3-(9-thieno[3,2-b]thiophen-5-ylpyrido[3,4-b]indol-3-yl)pyrido[3,4-b]indole;9-(5-thiophen-2-ylthiophen-2-yl)-3-[9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;decaisothiocyanate?
The IUPAC name of hexakis(carbon dioxide);5-[6-[3-[9-[6-(3-hydroxy-4,5-dimethylphenyl)naphthalen-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-9-yl]naphthalen-2-yl]benzene-1,2,3-triol;9-methyl-6-(4-methylphenyl)-3-[6-(4-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;2-[3-[9-methyl-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-3-yl]-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-9-yl]acetic acid;pentakis(2-pyridin-2-ylpyridine-4-carboxylic acid);pentakis(ruthenium(2+));9-thieno[3,2-b]thiophen-5-yl-3-(9-thieno[3,2-b]thiophen-5-ylpyrido[3,4-b]indol-3-yl)pyrido[3,4-b]indole;9-(5-thiophen-2-ylthiophen-2-yl)-3-[9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;decaisothiocyanate (CID 157060246) is hexakis(carbon dioxide);5-[6-[3-[9-[6-(3-hydroxy-4,5-dimethylphenyl)naphthalen-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-9-yl]naphthalen-2-yl]benzene-1,2,3-triol;9-methyl-6-(4-methylphenyl)-3-[6-(4-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;2-[3-[9-methyl-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-3-yl]-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-9-yl]acetic acid;pentakis(2-pyridin-2-ylpyridine-4-carboxylic acid);pentakis(ruthenium(2+));9-thieno[3,2-b]thiophen-5-yl-3-(9-thieno[3,2-b]thiophen-5-ylpyrido[3,4-b]indol-3-yl)pyrido[3,4-b]indole;9-(5-thiophen-2-ylthiophen-2-yl)-3-[9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;decaisothiocyanate.
What is the SMILES notation for hexakis(carbon dioxide);5-[6-[3-[9-[6-(3-hydroxy-4,5-dimethylphenyl)naphthalen-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-9-yl]naphthalen-2-yl]benzene-1,2,3-triol;9-methyl-6-(4-methylphenyl)-3-[6-(4-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;2-[3-[9-methyl-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-3-yl]-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-9-yl]acetic acid;pentakis(2-pyridin-2-ylpyridine-4-carboxylic acid);pentakis(ruthenium(2+));9-thieno[3,2-b]thiophen-5-yl-3-(9-thieno[3,2-b]thiophen-5-ylpyrido[3,4-b]indol-3-yl)pyrido[3,4-b]indole;9-(5-thiophen-2-ylthiophen-2-yl)-3-[9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;decaisothiocyanate?
The canonical SMILES for hexakis(carbon dioxide);5-[6-[3-[9-[6-(3-hydroxy-4,5-dimethylphenyl)naphthalen-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-9-yl]naphthalen-2-yl]benzene-1,2,3-triol;9-methyl-6-(4-methylphenyl)-3-[6-(4-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;2-[3-[9-methyl-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-3-yl]-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-9-yl]acetic acid;pentakis(2-pyridin-2-ylpyridine-4-carboxylic acid);pentakis(ruthenium(2+));9-thieno[3,2-b]thiophen-5-yl-3-(9-thieno[3,2-b]thiophen-5-ylpyrido[3,4-b]indol-3-yl)pyrido[3,4-b]indole;9-(5-thiophen-2-ylthiophen-2-yl)-3-[9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;decaisothiocyanate is Cc1ccc(-c2ccc3[nH]c4cnc(-c5cc6c7cc(-c8ccc(C)cc8)ccc7n(C)c6cn5)cc4c3c2)cc1.Cn1c2ccc(/C=C/c3cccs3)cc2c2cc(-c3cc4c5cc(/C=C/c6cccs6)ccc5n(CC(=O)O)c4cn3)ncc21.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)c1ccnc(-c2ccccn2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2cc(-c4cc5c6cc(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])ccc6n(-c6ccc7cc(-c8cc(O)c(O)c(O)c8)ccc7c6)c5cn4)ncc2n3-c2ccc3cc(-c4cc(C)c(C)c(O)c4)ccc3c2)c([2H])c1[2H].[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].c1ccc2c(c1)c1cc(-c3cc4c5ccccc5n(-c5cc6sccc6s5)c4cn3)ncc1n2-c1cc2sccc2s1.c1csc(-c2ccc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7n(-c7ccc(-c8cccs8)s7)c6cn5)ncc43)s2)c1.
What is the InChIKey of hexakis(carbon dioxide);5-[6-[3-[9-[6-(3-hydroxy-4,5-dimethylphenyl)naphthalen-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-9-yl]naphthalen-2-yl]benzene-1,2,3-triol;9-methyl-6-(4-methylphenyl)-3-[6-(4-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;2-[3-[9-methyl-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-3-yl]-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-9-yl]acetic acid;pentakis(2-pyridin-2-ylpyridine-4-carboxylic acid);pentakis(ruthenium(2+));9-thieno[3,2-b]thiophen-5-yl-3-(9-thieno[3,2-b]thiophen-5-ylpyrido[3,4-b]indol-3-yl)pyrido[3,4-b]indole;9-(5-thiophen-2-ylthiophen-2-yl)-3-[9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;decaisothiocyanate?
The InChIKey is ABGBZHDSYINUDV-QKVDCMGESA-N. The full InChI is InChI=1S/C68H46N4O4.C38H22N4S4.C37H26N4O2S2.C37H28N4.C34H18N4S4.5C11H8N2O2.10CNS.6CO2.5Ru/c1-39-25-51(32-65(73)40(39)2)45-13-15-47-28-53(21-17-43(47)26-45)71-61-23-19-49(41-9-5-3-6-10-41)30-55(61)57-35-59(69-37-63(57)71)60-36-58-56-31-50(42-11-7-4-8-12-42)20-24-62(56)72(64(58)38-70-60)54-22-18-44-27-46(14-16-48(44)29-54)52-33-66(74)68(76)67(75)34-52;1-3-9-29-23(7-1)25-19-27(39-21-31(25)41(29)37-15-13-35(45-37)33-11-5-17-43-33)28-20-26-24-8-2-4-10-30(24)42(32(26)22-40-28)38-16-14-36(46-38)34-12-6-18-44-34;1-40-33-12-8-23(6-10-25-4-2-14-44-25)16-27(33)29-18-31(38-20-35(29)40)32-19-30-28-17-24(7-11-26-5-3-15-45-26)9-13-34(28)41(22-37(42)43)36(30)21-39-32;1-22-4-8-24(9-5-22)26-12-14-32-28(16-26)29-18-33(38-20-35(29)40-32)34-19-31-30-17-27(25-10-6-23(2)7-11-25)13-15-36(30)41(3)37(31)21-39-34;1-3-7-25-19(5-1)21-13-23(35-17-27(21)37(25)33-15-31-29(41-33)9-11-39-31)24-14-22-20-6-2-4-8-26(20)38(28(22)18-36-24)34-16-32-30(42-34)10-12-40-32;5*14-11(15)8-4-6-13-10(7-8)9-3-1-2-5-12-9;16*2-1-3;;;;;/h3-38,73-76H,1-2H3;1-22H;2-21H,22H2,1H3,(H,42,43);4-21,40H,1-3H3;1-18H;5*1-7H,(H,14,15);;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;10*-1;;;;;;;5*+2/b;;10-6+,11-7+;;;;;;;;;;;;;;;;;;;;;;;;;;;;/i3D,4D,5D,6D,7D,8D,9D,10D,11D,12D;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of hexakis(carbon dioxide);5-[6-[3-[9-[6-(3-hydroxy-4,5-dimethylphenyl)naphthalen-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-9-yl]naphthalen-2-yl]benzene-1,2,3-triol;9-methyl-6-(4-methylphenyl)-3-[6-(4-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;2-[3-[9-methyl-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-3-yl]-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-9-yl]acetic acid;pentakis(2-pyridin-2-ylpyridine-4-carboxylic acid);pentakis(ruthenium(2+));9-thieno[3,2-b]thiophen-5-yl-3-(9-thieno[3,2-b]thiophen-5-ylpyrido[3,4-b]indol-3-yl)pyrido[3,4-b]indole;9-(5-thiophen-2-ylthiophen-2-yl)-3-[9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;decaisothiocyanate?
hexakis(carbon dioxide);5-[6-[3-[9-[6-(3-hydroxy-4,5-dimethylphenyl)naphthalen-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-9-yl]naphthalen-2-yl]benzene-1,2,3-triol;9-methyl-6-(4-methylphenyl)-3-[6-(4-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;2-[3-[9-methyl-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-3-yl]-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-9-yl]acetic acid;pentakis(2-pyridin-2-ylpyridine-4-carboxylic acid);pentakis(ruthenium(2+));9-thieno[3,2-b]thiophen-5-yl-3-(9-thieno[3,2-b]thiophen-5-ylpyrido[3,4-b]indol-3-yl)pyrido[3,4-b]indole;9-(5-thiophen-2-ylthiophen-2-yl)-3-[9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;decaisothiocyanate has a molecular weight of 5769.58 g/mol, XLogP of 70.66, 35 rotatable bonds, 11 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(carbon dioxide);5-[6-[3-[9-[6-(3-hydroxy-4,5-dimethylphenyl)naphthalen-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,4-b]indol-9-yl]naphthalen-2-yl]benzene-1,2,3-triol;9-methyl-6-(4-methylphenyl)-3-[6-(4-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;2-[3-[9-methyl-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-3-yl]-6-[(E)-2-thiophen-2-ylethenyl]pyrido[3,4-b]indol-9-yl]acetic acid;pentakis(2-pyridin-2-ylpyridine-4-carboxylic acid);pentakis(ruthenium(2+));9-thieno[3,2-b]thiophen-5-yl-3-(9-thieno[3,2-b]thiophen-5-ylpyrido[3,4-b]indol-3-yl)pyrido[3,4-b]indole;9-(5-thiophen-2-ylthiophen-2-yl)-3-[9-(5-thiophen-2-ylthiophen-2-yl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;decaisothiocyanate is sourced from PubChem (CID 157060246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).