bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);1-bromo-4-tert-butylbenzene;2,7-dibromo-9,9-dihexylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);14-[2-[7-[9-(11,13-dihydroxytetradec-11-enyl)-9-hexyl-7-methylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-methylfluoren-9-yl]tetradec-3-ene-2,4-diol;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dihexylfluoren-2-yl]-1,3,2-dioxaborinane;tetrakis(iridium);2-phenyl-1,3,2-dioxaborinane;bis(2-phenylpyridine)

C286H362B3Br7Ir4N4O14S2-4 — CID 162273867

IUPACbis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);1-bromo-4-tert-butylbenzene;2,7-dibromo-9,9-dihexylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);14-[2-[7-[9-(11,13-dihydroxytetradec-11-enyl)-9-hexyl-7-methylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-methylfluoren-9-yl]tetradec-3-ene-2,4-diol;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dihexylfluoren-2-yl]-1,3,2-dioxaborinane;tetrakis(iridium);2-phenyl-1,3,2-dioxaborinane;bis(2-phenylpyridine)
SMILESCC(C)(C)c1ccc(Br)cc1.CCCCCCC1(CCCCCC)c2cc(B3OCCCO3)ccc2-c2ccc(B3OCCCO3)cc21.CCCCCCC1(CCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCC1(CCCCCCCCCCC(O)=CC(C)O)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCC1(CCCCCCCCCCC(O)=CC(C)O)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc4c(c3)C(CCCCCC)(CCCCCCCCCCC(O)=CC(C)O)c3cc(C)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCCCCCCC(O)=CC(C)O)c3cc(C)ccc3-4)cc21.[Ir].[Ir].[Ir].[Ir].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(B2OCCCO2)cc1
InChIInChI=1S/C97H138O4.2C33H46Br2O2.C31H44B2O4.C25H32Br2.2C13H8NS.2C11H8N.C10H13Br.C9H11BO2.4Ir/c1-9-13-17-21-33-41-63-97(64-42-34-22-18-14-10-2)93-71-79(77-49-55-85-83-53-47-73(5)65-89(83)95(91(85)69-77,59-39-19-15-11-3)61-43-35-29-25-23-27-31-37-45-81(100)67-75(7)98)51-57-87(93)88-58-52-80(72-94(88)97)78-50-56-86-84-54-48-74(6)66-90(84)96(92(86)70-78,60-40-20-16-12-4)62-44-36-30-26-24-28-32-38-46-82(101)68-76(8)99;2*1-3-4-5-13-20-33(21-14-11-9-7-6-8-10-12-15-28(37)22-25(2)36)31-23-26(34)16-18-29(31)30-19-17-27(35)24-32(30)33;1-3-5-7-9-17-31(18-10-8-6-4-2)29-23-25(32-34-19-11-20-35-32)13-15-27(29)28-16-14-26(24-30(28)31)33-36-21-12-22-37-33;1-3-5-7-9-15-25(16-10-8-6-4-2)23-17-19(26)11-13-21(23)22-14-12-20(27)18-24(22)25;2*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8-4-6-9(11)7-5-8;1-2-5-9(6-3-1)10-11-7-4-8-12-10;;;;/h47-58,65-72,75-76,98-101H,9-46,59-64H2,1-8H3;2*16-19,22-25,36-37H,3-15,20-21H2,1-2H3;13-16,23-24H,3-12,17-22H2,1-2H3;11-14,17-18H,3-10,15-16H2,1-2H3;2*1-8H;2*1-6,8-9H;4-7H,1-3H3;1-3,5-6H,4,7-8H2;;;;/q;;;;;4*-1;;;;;;
InChIKeyFKFYLYMOFZBWOK-UHFFFAOYSA-N
MW5504.82 g/mol
LogP84.43
Rot. Bonds111

About bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);1-bromo-4-tert-butylbenzene;2,7-dibromo-9,9-dihexylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);14-[2-[7-[9-(11,13-dihydroxytetradec-11-enyl)-9-hexyl-7-methylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-methylfluoren-9-yl]tetradec-3-ene-2,4-diol;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dihexylfluoren-2-yl]-1,3,2-dioxaborinane;tetrakis(iridium);2-phenyl-1,3,2-dioxaborinane;bis(2-phenylpyridine)

bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);1-bromo-4-tert-butylbenzene;2,7-dibromo-9,9-dihexylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);14-[2-[7-[9-(11,13-dihydroxytetradec-11-enyl)-9-hexyl-7-methylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-methylfluoren-9-yl]tetradec-3-ene-2,4-diol;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dihexylfluoren-2-yl]-1,3,2-dioxaborinane;tetrakis(iridium);2-phenyl-1,3,2-dioxaborinane;bis(2-phenylpyridine) (PubChem CID 162273867) has the molecular formula C286H362B3Br7Ir4N4O14S2-4 and a molecular weight of 5504.82 g/mol. Its IUPAC name is bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);1-bromo-4-tert-butylbenzene;2,7-dibromo-9,9-dihexylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);14-[2-[7-[9-(11,13-dihydroxytetradec-11-enyl)-9-hexyl-7-methylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-methylfluoren-9-yl]tetradec-3-ene-2,4-diol;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dihexylfluoren-2-yl]-1,3,2-dioxaborinane;tetrakis(iridium);2-phenyl-1,3,2-dioxaborinane;bis(2-phenylpyridine).

Molecular Properties

Compound Namebis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);1-bromo-4-tert-butylbenzene;2,7-dibromo-9,9-dihexylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);14-[2-[7-[9-(11,13-dihydroxytetradec-11-enyl)-9-hexyl-7-methylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-methylfluoren-9-yl]tetradec-3-ene-2,4-diol;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dihexylfluoren-2-yl]-1,3,2-dioxaborinane;tetrakis(iridium);2-phenyl-1,3,2-dioxaborinane;bis(2-phenylpyridine)
PubChem CID162273867
Molecular FormulaC286H362B3Br7Ir4N4O14S2-4
Molecular Weight5504.82 g/mol
Exact Mass5498.03
IUPAC Namebis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);1-bromo-4-tert-butylbenzene;2,7-dibromo-9,9-dihexylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);14-[2-[7-[9-(11,13-dihydroxytetradec-11-enyl)-9-hexyl-7-methylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-methylfluoren-9-yl]tetradec-3-ene-2,4-diol;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dihexylfluoren-2-yl]-1,3,2-dioxaborinane;tetrakis(iridium);2-phenyl-1,3,2-dioxaborinane;bis(2-phenylpyridine)
SMILESCC(C)(C)c1ccc(Br)cc1.CCCCCCC1(CCCCCC)c2cc(B3OCCCO3)ccc2-c2ccc(B3OCCCO3)cc21.CCCCCCC1(CCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCC1(CCCCCCCCCCC(O)=CC(C)O)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCC1(CCCCCCCCCCC(O)=CC(C)O)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc4c(c3)C(CCCCCC)(CCCCCCCCCCC(O)=CC(C)O)c3cc(C)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCCCCCCC(O)=CC(C)O)c3cc(C)ccc3-4)cc21.[Ir].[Ir].[Ir].[Ir].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(B2OCCCO2)cc1
InChIInChI=1S/C97H138O4.2C33H46Br2O2.C31H44B2O4.C25H32Br2.2C13H8NS.2C11H8N.C10H13Br.C9H11BO2.4Ir/c1-9-13-17-21-33-41-63-97(64-42-34-22-18-14-10-2)93-71-79(77-49-55-85-83-53-47-73(5)65-89(83)95(91(85)69-77,59-39-19-15-11-3)61-43-35-29-25-23-27-31-37-45-81(100)67-75(7)98)51-57-87(93)88-58-52-80(72-94(88)97)78-50-56-86-84-54-48-74(6)66-90(84)96(92(86)70-78,60-40-20-16-12-4)62-44-36-30-26-24-28-32-38-46-82(101)68-76(8)99;2*1-3-4-5-13-20-33(21-14-11-9-7-6-8-10-12-15-28(37)22-25(2)36)31-23-26(34)16-18-29(31)30-19-17-27(35)24-32(30)33;1-3-5-7-9-17-31(18-10-8-6-4-2)29-23-25(32-34-19-11-20-35-32)13-15-27(29)28-16-14-26(24-30(28)31)33-36-21-12-22-37-33;1-3-5-7-9-15-25(16-10-8-6-4-2)23-17-19(26)11-13-21(23)22-14-12-20(27)18-24(22)25;2*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8-4-6-9(11)7-5-8;1-2-5-9(6-3-1)10-11-7-4-8-12-10;;;;/h47-58,65-72,75-76,98-101H,9-46,59-64H2,1-8H3;2*16-19,22-25,36-37H,3-15,20-21H2,1-2H3;13-16,23-24H,3-12,17-22H2,1-2H3;11-14,17-18H,3-10,15-16H2,1-2H3;2*1-8H;2*1-6,8-9H;4-7H,1-3H3;1-3,5-6H,4,7-8H2;;;;/q;;;;;4*-1;;;;;;
InChIKeyFKFYLYMOFZBWOK-UHFFFAOYSA-N
XLogP84.43
TPSA268.78 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds111
Heavy Atoms320
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005504.82
LogP ≤ 584.43
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);1-bromo-4-tert-butylbenzene;2,7-dibromo-9,9-dihexylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);14-[2-[7-[9-(11,13-dihydroxytetradec-11-enyl)-9-hexyl-7-methylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-methylfluoren-9-yl]tetradec-3-ene-2,4-diol;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dihexylfluoren-2-yl]-1,3,2-dioxaborinane;tetrakis(iridium);2-phenyl-1,3,2-dioxaborinane;bis(2-phenylpyridine) with MolForge

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Related Compounds

bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);6-(2,7-dibromo-9-octylfluoren-9-yl)hexane-2,4-diol;iridium;4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane
CID 157663806
bis(2-(3H-1-benzothiophen-3-id-2-yl)-5-(7-bromo-9,9-dioctylfluoren-2-yl)pyridine);2-(3H-1-benzothiophen-3-id-2-yl)-5-bromopyridine;2-(7-bromo-9,9-dioctylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(4-hydroxypent-3-en-2-one);tris(iridium);dihydrate
CID 158734011
bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);6-(2-bromo-7-methyl-9-octylfluoren-9-yl)hexane-2,4-diol;iridium;4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane
CID 159696714
tetrakis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);N,N-bis(4-bromophenyl)-4-phenylaniline;1-bromo-2-(2-bromophenyl)benzene;1-bromo-3-(3-bromophenyl)benzene;bis(6-(2-bromo-7-methyl-9-octylfluoren-9-yl)hexane-2,4-diol);3,6-dibromo-9-ethylcarbazole;bis(iridium)
CID 160732593
tetrakis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);N,N-bis(4-bromophenyl)-4-phenylaniline;1-bromo-2-(2-bromophenyl)benzene;1-bromo-3-(3-bromophenyl)benzene;6-(2-bromo-7-methyl-9-octylfluoren-9-yl)hexane-2,4-diol;1-(2-bromo-7-methyl-9-octylfluoren-9-yl)pentane-2,4-diol;3,6-dibromo-9-ethylcarbazole;bis(iridium)
CID 161160059
bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);14-[2-[9,9-bis(10-carbazol-9-yldecyl)-7-methylfluoren-2-yl]-9-hexyl-7-methylfluoren-9-yl]tetradec-3-ene-2,4-diol;1-bromo-4-tert-butylbenzene;9-[10-[2,7-dibromo-9-(10-carbazol-9-yldecyl)fluoren-9-yl]decyl]carbazole;14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol;bis(iridium)
CID 162267532
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;9-[10-[2,7-dibromo-9-(10-carbazol-9-yldecyl)fluoren-9-yl]decyl]carbazole;2,7-dibromo-9,9-dioctylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);bis(iridium);2-phenylpyridine
CID 162267536
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;9-[10-[2,7-dibromo-9-(10-carbazol-9-yldecyl)fluoren-9-yl]decyl]carbazole;2,7-dibromo-9,9-dioctylfluorene;bis(12-(2,7-dibromo-9-hexylfluoren-9-yl)dodec-3-ene-2,4-diol);bis(iridium);2-phenylpyridine
CID 162267537
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;1-bromo-4-tert-butylbenzene;2,7-dibromo-9,9-dihexylfluorene;14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dihexylfluoren-2-yl]-1,3,2-dioxaborinane;iridium;2-phenyl-1,3,2-dioxaborinane
CID 162273866
bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);1-bromo-4-tert-butylbenzene;2,7-dibromo-9-heptyl-9-octylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradecane-2,4-dione);2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane;14-[2-[7-[9-(11,13-dioxotetradecyl)-9-hexyl-7-methylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-methylfluoren-9-yl]tetradecane-2,4-dione;tetrakis(iridium);2-phenyl-1,3,2-dioxaborinane;bis(2-phenylpyridine)
CID 162273869
bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);1-bromo-4-tert-butylbenzene;2,7-dibromo-9,9-dioctylfluorene;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane;14-(9-hexyl-2,7-dimethylfluoren-9-yl)tetradecane-2,4-dione;14-[9-hexyl-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluoren-9-yl]tetradecane-2,4-dione;bis(iridium);2-phenyl-1,3,2-dioxaborinane
CID 162273870

Frequently Asked Questions

What is the IUPAC name of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);1-bromo-4-tert-butylbenzene;2,7-dibromo-9,9-dihexylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);14-[2-[7-[9-(11,13-dihydroxytetradec-11-enyl)-9-hexyl-7-methylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-methylfluoren-9-yl]tetradec-3-ene-2,4-diol;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dihexylfluoren-2-yl]-1,3,2-dioxaborinane;tetrakis(iridium);2-phenyl-1,3,2-dioxaborinane;bis(2-phenylpyridine)?
The IUPAC name of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);1-bromo-4-tert-butylbenzene;2,7-dibromo-9,9-dihexylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);14-[2-[7-[9-(11,13-dihydroxytetradec-11-enyl)-9-hexyl-7-methylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-methylfluoren-9-yl]tetradec-3-ene-2,4-diol;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dihexylfluoren-2-yl]-1,3,2-dioxaborinane;tetrakis(iridium);2-phenyl-1,3,2-dioxaborinane;bis(2-phenylpyridine) (CID 162273867) is bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);1-bromo-4-tert-butylbenzene;2,7-dibromo-9,9-dihexylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);14-[2-[7-[9-(11,13-dihydroxytetradec-11-enyl)-9-hexyl-7-methylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-methylfluoren-9-yl]tetradec-3-ene-2,4-diol;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dihexylfluoren-2-yl]-1,3,2-dioxaborinane;tetrakis(iridium);2-phenyl-1,3,2-dioxaborinane;bis(2-phenylpyridine).
What is the SMILES notation for bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);1-bromo-4-tert-butylbenzene;2,7-dibromo-9,9-dihexylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);14-[2-[7-[9-(11,13-dihydroxytetradec-11-enyl)-9-hexyl-7-methylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-methylfluoren-9-yl]tetradec-3-ene-2,4-diol;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dihexylfluoren-2-yl]-1,3,2-dioxaborinane;tetrakis(iridium);2-phenyl-1,3,2-dioxaborinane;bis(2-phenylpyridine)?
The canonical SMILES for bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);1-bromo-4-tert-butylbenzene;2,7-dibromo-9,9-dihexylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);14-[2-[7-[9-(11,13-dihydroxytetradec-11-enyl)-9-hexyl-7-methylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-methylfluoren-9-yl]tetradec-3-ene-2,4-diol;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dihexylfluoren-2-yl]-1,3,2-dioxaborinane;tetrakis(iridium);2-phenyl-1,3,2-dioxaborinane;bis(2-phenylpyridine) is CC(C)(C)c1ccc(Br)cc1.CCCCCCC1(CCCCCC)c2cc(B3OCCCO3)ccc2-c2ccc(B3OCCCO3)cc21.CCCCCCC1(CCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCC1(CCCCCCCCCCC(O)=CC(C)O)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCC1(CCCCCCCCCCC(O)=CC(C)O)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc4c(c3)C(CCCCCC)(CCCCCCCCCCC(O)=CC(C)O)c3cc(C)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCCCCCCC(O)=CC(C)O)c3cc(C)ccc3-4)cc21.[Ir].[Ir].[Ir].[Ir].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(B2OCCCO2)cc1.
What is the InChIKey of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);1-bromo-4-tert-butylbenzene;2,7-dibromo-9,9-dihexylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);14-[2-[7-[9-(11,13-dihydroxytetradec-11-enyl)-9-hexyl-7-methylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-methylfluoren-9-yl]tetradec-3-ene-2,4-diol;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dihexylfluoren-2-yl]-1,3,2-dioxaborinane;tetrakis(iridium);2-phenyl-1,3,2-dioxaborinane;bis(2-phenylpyridine)?
The InChIKey is FKFYLYMOFZBWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H138O4.2C33H46Br2O2.C31H44B2O4.C25H32Br2.2C13H8NS.2C11H8N.C10H13Br.C9H11BO2.4Ir/c1-9-13-17-21-33-41-63-97(64-42-34-22-18-14-10-2)93-71-79(77-49-55-85-83-53-47-73(5)65-89(83)95(91(85)69-77,59-39-19-15-11-3)61-43-35-29-25-23-27-31-37-45-81(100)67-75(7)98)51-57-87(93)88-58-52-80(72-94(88)97)78-50-56-86-84-54-48-74(6)66-90(84)96(92(86)70-78,60-40-20-16-12-4)62-44-36-30-26-24-28-32-38-46-82(101)68-76(8)99;2*1-3-4-5-13-20-33(21-14-11-9-7-6-8-10-12-15-28(37)22-25(2)36)31-23-26(34)16-18-29(31)30-19-17-27(35)24-32(30)33;1-3-5-7-9-17-31(18-10-8-6-4-2)29-23-25(32-34-19-11-20-35-32)13-15-27(29)28-16-14-26(24-30(28)31)33-36-21-12-22-37-33;1-3-5-7-9-15-25(16-10-8-6-4-2)23-17-19(26)11-13-21(23)22-14-12-20(27)18-24(22)25;2*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8-4-6-9(11)7-5-8;1-2-5-9(6-3-1)10-11-7-4-8-12-10;;;;/h47-58,65-72,75-76,98-101H,9-46,59-64H2,1-8H3;2*16-19,22-25,36-37H,3-15,20-21H2,1-2H3;13-16,23-24H,3-12,17-22H2,1-2H3;11-14,17-18H,3-10,15-16H2,1-2H3;2*1-8H;2*1-6,8-9H;4-7H,1-3H3;1-3,5-6H,4,7-8H2;;;;/q;;;;;4*-1;;;;;;.
What are the key properties of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);1-bromo-4-tert-butylbenzene;2,7-dibromo-9,9-dihexylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);14-[2-[7-[9-(11,13-dihydroxytetradec-11-enyl)-9-hexyl-7-methylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-methylfluoren-9-yl]tetradec-3-ene-2,4-diol;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dihexylfluoren-2-yl]-1,3,2-dioxaborinane;tetrakis(iridium);2-phenyl-1,3,2-dioxaborinane;bis(2-phenylpyridine)?
bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);1-bromo-4-tert-butylbenzene;2,7-dibromo-9,9-dihexylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);14-[2-[7-[9-(11,13-dihydroxytetradec-11-enyl)-9-hexyl-7-methylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-methylfluoren-9-yl]tetradec-3-ene-2,4-diol;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dihexylfluoren-2-yl]-1,3,2-dioxaborinane;tetrakis(iridium);2-phenyl-1,3,2-dioxaborinane;bis(2-phenylpyridine) has a molecular weight of 5504.82 g/mol, XLogP of 84.43, 111 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);1-bromo-4-tert-butylbenzene;2,7-dibromo-9,9-dihexylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);14-[2-[7-[9-(11,13-dihydroxytetradec-11-enyl)-9-hexyl-7-methylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-methylfluoren-9-yl]tetradec-3-ene-2,4-diol;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dihexylfluoren-2-yl]-1,3,2-dioxaborinane;tetrakis(iridium);2-phenyl-1,3,2-dioxaborinane;bis(2-phenylpyridine) is sourced from PubChem (CID 162273867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).