tris(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(4,4-dimethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(3-methylpentan-3-yl)-[1]benzothiolo[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-pentan-3-yl-[1]benzothiolo[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)

C231H296Ir5N5O10S5-5 — CID 160702347

IUPACtris(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(4,4-dimethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(3-methylpentan-3-yl)-[1]benzothiolo[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-pentan-3-yl-[1]benzothiolo[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)
SMILESCC(C)C(C(=O)C=C(O)C(C(C)C)C(C)C)C(C)C.CC1(C)CCC(c2cccc3c2sc2c(-c4[c-]c5ccccc5c(C(C)(C)C)c4)nccc23)CC1.CC1(C)CCC(c2cccc3c2sc2c(-c4[c-]c5ccccc5c(C(C)(C)C)c4)nccc23)CC1.CC1(C)CCC(c2cccc3c2sc2c(-c4[c-]c5ccccc5c(C(C)(C)C)c4)nccc23)CC1.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)c1cccc2c1sc1c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)c1cccc2c1sc1c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/3C33H34NS.C31H32NS.C30H30NS.C17H32O2.C15H28O2.3C13H24O2.5Ir/c3*1-32(2,3)28-20-23(19-22-9-6-7-10-24(22)28)29-31-27(15-18-34-29)26-12-8-11-25(30(26)35-31)21-13-16-33(4,5)17-14-21;1-7-31(6,8-2)25-15-11-14-23-24-16-17-32-27(29(24)33-28(23)25)21-18-20-12-9-10-13-22(20)26(19-21)30(3,4)5;1-6-19(7-2)23-13-10-14-24-25-15-16-31-27(29(25)32-28(23)24)21-17-20-11-8-9-12-22(20)26(18-21)30(3,4)5;1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;3*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;;/h3*6-12,15,18,20-21H,13-14,16-17H2,1-5H3;9-17,19H,7-8H2,1-6H3;8-16,18-19H,6-7H2,1-5H3;9-13,16-18H,1-8H3;11,16H,7-10H2,1-6H3;3*9-11,14H,5-8H2,1-4H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyHBTVKNYEISCYKQ-UHFFFAOYSA-N
MW4424.35 g/mol
LogP69.97
Rot. Bonds49

About tris(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(4,4-dimethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(3-methylpentan-3-yl)-[1]benzothiolo[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-pentan-3-yl-[1]benzothiolo[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)

tris(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(4,4-dimethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(3-methylpentan-3-yl)-[1]benzothiolo[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-pentan-3-yl-[1]benzothiolo[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium) (PubChem CID 160702347) has the molecular formula C231H296Ir5N5O10S5-5 and a molecular weight of 4424.35 g/mol. Its IUPAC name is tris(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(4,4-dimethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(3-methylpentan-3-yl)-[1]benzothiolo[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-pentan-3-yl-[1]benzothiolo[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium).

Molecular Properties

Compound Nametris(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(4,4-dimethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(3-methylpentan-3-yl)-[1]benzothiolo[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-pentan-3-yl-[1]benzothiolo[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)
PubChem CID160702347
Molecular FormulaC231H296Ir5N5O10S5-5
Molecular Weight4424.35 g/mol
Exact Mass4424.96
IUPAC Nametris(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(4,4-dimethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(3-methylpentan-3-yl)-[1]benzothiolo[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-pentan-3-yl-[1]benzothiolo[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)
SMILESCC(C)C(C(=O)C=C(O)C(C(C)C)C(C)C)C(C)C.CC1(C)CCC(c2cccc3c2sc2c(-c4[c-]c5ccccc5c(C(C)(C)C)c4)nccc23)CC1.CC1(C)CCC(c2cccc3c2sc2c(-c4[c-]c5ccccc5c(C(C)(C)C)c4)nccc23)CC1.CC1(C)CCC(c2cccc3c2sc2c(-c4[c-]c5ccccc5c(C(C)(C)C)c4)nccc23)CC1.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)c1cccc2c1sc1c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)c1cccc2c1sc1c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/3C33H34NS.C31H32NS.C30H30NS.C17H32O2.C15H28O2.3C13H24O2.5Ir/c3*1-32(2,3)28-20-23(19-22-9-6-7-10-24(22)28)29-31-27(15-18-34-29)26-12-8-11-25(30(26)35-31)21-13-16-33(4,5)17-14-21;1-7-31(6,8-2)25-15-11-14-23-24-16-17-32-27(29(24)33-28(23)25)21-18-20-12-9-10-13-22(20)26(19-21)30(3,4)5;1-6-19(7-2)23-13-10-14-24-25-15-16-31-27(29(25)32-28(23)24)21-17-20-11-8-9-12-22(20)26(18-21)30(3,4)5;1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;3*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;;/h3*6-12,15,18,20-21H,13-14,16-17H2,1-5H3;9-17,19H,7-8H2,1-6H3;8-16,18-19H,6-7H2,1-5H3;9-13,16-18H,1-8H3;11,16H,7-10H2,1-6H3;3*9-11,14H,5-8H2,1-4H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyHBTVKNYEISCYKQ-UHFFFAOYSA-N
XLogP69.97
TPSA250.95 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds49
Heavy Atoms256
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004424.35
LogP ≤ 569.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tris(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(4,4-dimethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(3-methylpentan-3-yl)-[1]benzothiolo[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-pentan-3-yl-[1]benzothiolo[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium) with MolForge

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Launch Full Analysis

Related Compounds

bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-spiro[5.5]undecan-3-yl-[1]benzothiolo[2,3-c]pyridine);bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(3,3,5,5-tetramethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium)
CID 157473759
tetrakis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(2,2-dimethylpropyl)-8-methyl-[1]benzothiolo[2,3-c]pyridine);3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;3,7-diethyl-6-hydroxynon-5-en-4-one;6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(iridium)
CID 158678695
bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-methylthieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium)
CID 163528324
7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3,4-bis(trideuteriomethyl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)
CID 163597186
7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-propan-2-ylthieno[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 164703021
tetrakis(4-[4,4-bis(2-methylpropyl)cyclohexyl]-2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethylquinoline);3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;3,7-diethyl-6-hydroxynon-5-en-4-one;6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium)
CID 159732997
1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 154599516
1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(3-methylpentan-3-yl)-[1]benzothiolo[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 154599318
[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]thieno[2,3-c]pyridin-3-yl]-trimethylsilane;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 164703090
14-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-phenyl-16-thia-13-azatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),7,10(15),11,13-hexaene;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 162503693
1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(3,3-difluoropropyl)-8-methyl-[1]benzothiolo[2,3-c]pyridine;(Z)-6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;iridium
CID 176623308
1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-[1]benzothiolo[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 172542945

Frequently Asked Questions

What is the IUPAC name of tris(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(4,4-dimethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(3-methylpentan-3-yl)-[1]benzothiolo[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-pentan-3-yl-[1]benzothiolo[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)?
The IUPAC name of tris(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(4,4-dimethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(3-methylpentan-3-yl)-[1]benzothiolo[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-pentan-3-yl-[1]benzothiolo[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium) (CID 160702347) is tris(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(4,4-dimethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(3-methylpentan-3-yl)-[1]benzothiolo[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-pentan-3-yl-[1]benzothiolo[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium).
What is the SMILES notation for tris(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(4,4-dimethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(3-methylpentan-3-yl)-[1]benzothiolo[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-pentan-3-yl-[1]benzothiolo[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)?
The canonical SMILES for tris(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(4,4-dimethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(3-methylpentan-3-yl)-[1]benzothiolo[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-pentan-3-yl-[1]benzothiolo[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium) is CC(C)C(C(=O)C=C(O)C(C(C)C)C(C)C)C(C)C.CC1(C)CCC(c2cccc3c2sc2c(-c4[c-]c5ccccc5c(C(C)(C)C)c4)nccc23)CC1.CC1(C)CCC(c2cccc3c2sc2c(-c4[c-]c5ccccc5c(C(C)(C)C)c4)nccc23)CC1.CC1(C)CCC(c2cccc3c2sc2c(-c4[c-]c5ccccc5c(C(C)(C)C)c4)nccc23)CC1.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)c1cccc2c1sc1c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)c1cccc2c1sc1c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of tris(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(4,4-dimethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(3-methylpentan-3-yl)-[1]benzothiolo[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-pentan-3-yl-[1]benzothiolo[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)?
The InChIKey is HBTVKNYEISCYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C33H34NS.C31H32NS.C30H30NS.C17H32O2.C15H28O2.3C13H24O2.5Ir/c3*1-32(2,3)28-20-23(19-22-9-6-7-10-24(22)28)29-31-27(15-18-34-29)26-12-8-11-25(30(26)35-31)21-13-16-33(4,5)17-14-21;1-7-31(6,8-2)25-15-11-14-23-24-16-17-32-27(29(24)33-28(23)25)21-18-20-12-9-10-13-22(20)26(19-21)30(3,4)5;1-6-19(7-2)23-13-10-14-24-25-15-16-31-27(29(25)32-28(23)24)21-17-20-11-8-9-12-22(20)26(18-21)30(3,4)5;1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;3*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;;/h3*6-12,15,18,20-21H,13-14,16-17H2,1-5H3;9-17,19H,7-8H2,1-6H3;8-16,18-19H,6-7H2,1-5H3;9-13,16-18H,1-8H3;11,16H,7-10H2,1-6H3;3*9-11,14H,5-8H2,1-4H3;;;;;/q5*-1;;;;;;;;;;.
What are the key properties of tris(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(4,4-dimethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(3-methylpentan-3-yl)-[1]benzothiolo[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-pentan-3-yl-[1]benzothiolo[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)?
tris(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(4,4-dimethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(3-methylpentan-3-yl)-[1]benzothiolo[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-pentan-3-yl-[1]benzothiolo[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium) has a molecular weight of 4424.35 g/mol, XLogP of 69.97, 49 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(4,4-dimethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(3-methylpentan-3-yl)-[1]benzothiolo[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-pentan-3-yl-[1]benzothiolo[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium) is sourced from PubChem (CID 160702347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).