bis(5-bromo-2-(4-bromophenyl)pyridine);1,4-dibromobenzene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iridium;methane;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-5-[7-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]-9,9-dioctylfluoren-2-yl]pyridine;bis(5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine);palladium;2-phenylpyridine;bis(2-phenylpyridine);trichloroiridium;tetrakis(triphenylphosphane)

C352H403B2Br8Cl3Ir2N10O4P4Pd-3 — CID 157215044

IUPACbis(5-bromo-2-(4-bromophenyl)pyridine);1,4-dibromobenzene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iridium;methane;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-5-[7-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]-9,9-dioctylfluoren-2-yl]pyridine;bis(5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine);palladium;2-phenylpyridine;bis(2-phenylpyridine);trichloroiridium;tetrakis(triphenylphosphane)
SMILESBrc1ccc(-c2ccc(Br)cn2)cc1.Brc1ccc(-c2ccc(Br)cn2)cc1.Brc1ccc(Br)cc1.Brc1ccc(Br)nc1.C.C.C.C.C.C.C.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5cc(-c7c[c-]c(-c8ccc(C)cn8)cc7)ccc5-6)cn4)cc3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(C)cn4)cc3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(C)cn4)cc3)cc21.Cl[Ir](Cl)Cl.[Ir].[Pd].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C82H99N2.2C42H53N.C41H64B2O4.4C18H15P.2C11H7Br2N.C11H9N.2C11H8N.C6H4Br2.C5H3Br2N.7CH4.3ClH.2Ir.Pd/c1-7-11-15-19-23-27-51-81(52-28-24-20-16-12-8-2)75-55-61(5)31-45-71(75)72-46-41-67(56-76(72)81)64-35-39-66(40-36-64)80-50-44-70(60-84-80)69-43-48-74-73-47-42-68(63-33-37-65(38-34-63)79-49-32-62(6)59-83-79)57-77(73)82(78(74)58-69,53-29-25-21-17-13-9-3)54-30-26-22-18-14-10-4;2*1-5-7-9-11-13-15-27-42(28-16-14-12-10-8-6-2)39-29-32(3)17-24-37(39)38-25-23-36(30-40(38)42)34-19-21-35(22-20-34)41-26-18-33(4)31-43-41;1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*12-9-3-1-8(2-4-9)11-6-5-10(13)7-14-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;7-5-1-2-6(8)4-3-5;6-4-1-2-5(7)8-3-4;;;;;;;;;;;;;/h31-37,39-50,55-60H,7-30,51-54H2,1-6H3;2*17-26,29-31H,5-16,27-28H2,1-4H3;23-26,29-30H,11-22,27-28H2,1-10H3;4*1-15H;2*1-7H;1-9H;2*1-6,8-9H;1-4H;1-3H;7*1H4;3*1H;;;/q-1;;;;;;;;;;;2*-1;;;;;;;;;;;;;;+3;/p-3
InChIKeyGACCAHMUDNUTTN-UHFFFAOYSA-K
MW6220.13 g/mol
LogP102.92
Rot. Bonds98

About bis(5-bromo-2-(4-bromophenyl)pyridine);1,4-dibromobenzene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iridium;methane;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-5-[7-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]-9,9-dioctylfluoren-2-yl]pyridine;bis(5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine);palladium;2-phenylpyridine;bis(2-phenylpyridine);trichloroiridium;tetrakis(triphenylphosphane)

bis(5-bromo-2-(4-bromophenyl)pyridine);1,4-dibromobenzene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iridium;methane;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-5-[7-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]-9,9-dioctylfluoren-2-yl]pyridine;bis(5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine);palladium;2-phenylpyridine;bis(2-phenylpyridine);trichloroiridium;tetrakis(triphenylphosphane) (PubChem CID 157215044) has the molecular formula C352H403B2Br8Cl3Ir2N10O4P4Pd-3 and a molecular weight of 6220.13 g/mol. Its IUPAC name is bis(5-bromo-2-(4-bromophenyl)pyridine);1,4-dibromobenzene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iridium;methane;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-5-[7-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]-9,9-dioctylfluoren-2-yl]pyridine;bis(5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine);palladium;2-phenylpyridine;bis(2-phenylpyridine);trichloroiridium;tetrakis(triphenylphosphane).

Molecular Properties

Compound Namebis(5-bromo-2-(4-bromophenyl)pyridine);1,4-dibromobenzene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iridium;methane;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-5-[7-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]-9,9-dioctylfluoren-2-yl]pyridine;bis(5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine);palladium;2-phenylpyridine;bis(2-phenylpyridine);trichloroiridium;tetrakis(triphenylphosphane)
PubChem CID157215044
Molecular FormulaC352H403B2Br8Cl3Ir2N10O4P4Pd-3
Molecular Weight6220.13 g/mol
Exact Mass6208.16
IUPAC Namebis(5-bromo-2-(4-bromophenyl)pyridine);1,4-dibromobenzene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iridium;methane;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-5-[7-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]-9,9-dioctylfluoren-2-yl]pyridine;bis(5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine);palladium;2-phenylpyridine;bis(2-phenylpyridine);trichloroiridium;tetrakis(triphenylphosphane)
SMILESBrc1ccc(-c2ccc(Br)cn2)cc1.Brc1ccc(-c2ccc(Br)cn2)cc1.Brc1ccc(Br)cc1.Brc1ccc(Br)nc1.C.C.C.C.C.C.C.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5cc(-c7c[c-]c(-c8ccc(C)cn8)cc7)ccc5-6)cn4)cc3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(C)cn4)cc3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(C)cn4)cc3)cc21.Cl[Ir](Cl)Cl.[Ir].[Pd].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C82H99N2.2C42H53N.C41H64B2O4.4C18H15P.2C11H7Br2N.C11H9N.2C11H8N.C6H4Br2.C5H3Br2N.7CH4.3ClH.2Ir.Pd/c1-7-11-15-19-23-27-51-81(52-28-24-20-16-12-8-2)75-55-61(5)31-45-71(75)72-46-41-67(56-76(72)81)64-35-39-66(40-36-64)80-50-44-70(60-84-80)69-43-48-74-73-47-42-68(63-33-37-65(38-34-63)79-49-32-62(6)59-83-79)57-77(73)82(78(74)58-69,53-29-25-21-17-13-9-3)54-30-26-22-18-14-10-4;2*1-5-7-9-11-13-15-27-42(28-16-14-12-10-8-6-2)39-29-32(3)17-24-37(39)38-25-23-36(30-40(38)42)34-19-21-35(22-20-34)41-26-18-33(4)31-43-41;1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*12-9-3-1-8(2-4-9)11-6-5-10(13)7-14-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;7-5-1-2-6(8)4-3-5;6-4-1-2-5(7)8-3-4;;;;;;;;;;;;;/h31-37,39-50,55-60H,7-30,51-54H2,1-6H3;2*17-26,29-31H,5-16,27-28H2,1-4H3;23-26,29-30H,11-22,27-28H2,1-10H3;4*1-15H;2*1-7H;1-9H;2*1-6,8-9H;1-4H;1-3H;7*1H4;3*1H;;;/q-1;;;;;;;;;;;2*-1;;;;;;;;;;;;;;+3;/p-3
InChIKeyGACCAHMUDNUTTN-UHFFFAOYSA-K
XLogP102.92
TPSA165.82 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds98
Heavy Atoms386
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006220.13
LogP ≤ 5102.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze bis(5-bromo-2-(4-bromophenyl)pyridine);1,4-dibromobenzene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iridium;methane;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-5-[7-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]-9,9-dioctylfluoren-2-yl]pyridine;bis(5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine);palladium;2-phenylpyridine;bis(2-phenylpyridine);trichloroiridium;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

2,5-Dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-methyl-2-(7-methyl-9,9-dioctylfluoren-2-yl)pyridine;bis(triphenylphosphane)
CID 90966057
2-Bromo-2'-tert-butyl-7'-propan-2-yl-9,9'-spirobi[fluorene];2-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;palladium;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;tetrakis(triphenylphosphane)
CID 157308470
Bis[diphenylphosphanyl(phenyl)phosphanyl]phosphanyl-triphenyl-lambda5-phosphane;5-bromo-2-(4-bromophenyl)pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diphenyl(phenylphosphanyl)phosphane;methane;5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine;palladium
CID 157389470
2',7'-Bis[3,5-bis(4-tert-butylphenyl)phenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene];2-[3,5-bis(4-tert-butylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2',7'-dibromospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
CID 157738875
2-(4-Bromophenyl)pyridine;2,7-dibromo-9,9-dioctylfluorene;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylbenzene-5-id-1-yl)fluoren-2-yl]benzene-6-id-1-yl]pyridine;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylphenyl)fluoren-2-yl]phenyl]pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium);methane
CID 158325223
8-[3,6-Bis(4-pyridin-4-ylphenyl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(4-bromophenyl)pyridine
CID 158402347
8-bromo-6H-pyrido[2,1-a]isoindol-5-ium;2,7-dibromo-9,9-dioctylfluorene;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylbenzene-5-id-1-yl)fluoren-2-yl]benzene-6-id-1-yl]pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium);methane
CID 158627984
2,7-Dibromo-9,9-dioctylfluorene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-methyl-2-[4-[7-(7-methyl-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)
CID 159495611
2,5-dibromopyridine;6-[9-[6-(diethylamino)hexyl]-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]-N,N-diethylhexan-1-amine;6-[9-[6-(diethylamino)hexyl]-2-phenyl-7-(6-phenyl-3-pyridinyl)fluoren-9-yl]-N,N-diethylhexan-1-amine;6-[9-[6-[diethyl(hydroxy)azaniumyl]hexyl]-2-phenyl-7-(6-phenyl-3-pyridinyl)fluoren-9-yl]hexyl-diethyl-hydroxyazanium
CID 159887160
bis[diphenylphosphanyl(phenyl)phosphanyl]phosphanyl-triphenyl-lambda5-phosphane;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diphenyl(phenylphosphanyl)phosphane;iridium;methane;2-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-(5-methyl-2-pyridinyl)-9,9-dioctyl-6H-fluoren-6-id-2-yl]pyridine;bis(5-methyl-2-(7-methyl-9,9-dioctylfluoren-2-yl)pyridine);palladium;2-phenylpyridine;bis(2-phenylpyridine)
CID 160030508
Bis(5-bromo-2-(4-bromophenyl)pyridine);1,4-dibromobenzene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iridium;methane;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-5-[7-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]-9,9-dioctylfluoren-2-yl]pyridine;bis(5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine);palladium;2-phenylpyridine;bis(2-phenylpyridine);trichloroiridium;tetrakis(triphenylphosphane)
CID 160207847
8-[3,6-Bis(4-pyridin-3-ylphenyl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(4-bromophenyl)pyridine
CID 160406342

Frequently Asked Questions

What is the IUPAC name of bis(5-bromo-2-(4-bromophenyl)pyridine);1,4-dibromobenzene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iridium;methane;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-5-[7-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]-9,9-dioctylfluoren-2-yl]pyridine;bis(5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine);palladium;2-phenylpyridine;bis(2-phenylpyridine);trichloroiridium;tetrakis(triphenylphosphane)?
The IUPAC name of bis(5-bromo-2-(4-bromophenyl)pyridine);1,4-dibromobenzene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iridium;methane;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-5-[7-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]-9,9-dioctylfluoren-2-yl]pyridine;bis(5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine);palladium;2-phenylpyridine;bis(2-phenylpyridine);trichloroiridium;tetrakis(triphenylphosphane) (CID 157215044) is bis(5-bromo-2-(4-bromophenyl)pyridine);1,4-dibromobenzene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iridium;methane;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-5-[7-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]-9,9-dioctylfluoren-2-yl]pyridine;bis(5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine);palladium;2-phenylpyridine;bis(2-phenylpyridine);trichloroiridium;tetrakis(triphenylphosphane).
What is the SMILES notation for bis(5-bromo-2-(4-bromophenyl)pyridine);1,4-dibromobenzene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iridium;methane;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-5-[7-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]-9,9-dioctylfluoren-2-yl]pyridine;bis(5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine);palladium;2-phenylpyridine;bis(2-phenylpyridine);trichloroiridium;tetrakis(triphenylphosphane)?
The canonical SMILES for bis(5-bromo-2-(4-bromophenyl)pyridine);1,4-dibromobenzene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iridium;methane;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-5-[7-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]-9,9-dioctylfluoren-2-yl]pyridine;bis(5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine);palladium;2-phenylpyridine;bis(2-phenylpyridine);trichloroiridium;tetrakis(triphenylphosphane) is Brc1ccc(-c2ccc(Br)cn2)cc1.Brc1ccc(-c2ccc(Br)cn2)cc1.Brc1ccc(Br)cc1.Brc1ccc(Br)nc1.C.C.C.C.C.C.C.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5cc(-c7c[c-]c(-c8ccc(C)cn8)cc7)ccc5-6)cn4)cc3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(C)cn4)cc3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(C)cn4)cc3)cc21.Cl[Ir](Cl)Cl.[Ir].[Pd].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(5-bromo-2-(4-bromophenyl)pyridine);1,4-dibromobenzene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iridium;methane;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-5-[7-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]-9,9-dioctylfluoren-2-yl]pyridine;bis(5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine);palladium;2-phenylpyridine;bis(2-phenylpyridine);trichloroiridium;tetrakis(triphenylphosphane)?
The InChIKey is GACCAHMUDNUTTN-UHFFFAOYSA-K. The full InChI is InChI=1S/C82H99N2.2C42H53N.C41H64B2O4.4C18H15P.2C11H7Br2N.C11H9N.2C11H8N.C6H4Br2.C5H3Br2N.7CH4.3ClH.2Ir.Pd/c1-7-11-15-19-23-27-51-81(52-28-24-20-16-12-8-2)75-55-61(5)31-45-71(75)72-46-41-67(56-76(72)81)64-35-39-66(40-36-64)80-50-44-70(60-84-80)69-43-48-74-73-47-42-68(63-33-37-65(38-34-63)79-49-32-62(6)59-83-79)57-77(73)82(78(74)58-69,53-29-25-21-17-13-9-3)54-30-26-22-18-14-10-4;2*1-5-7-9-11-13-15-27-42(28-16-14-12-10-8-6-2)39-29-32(3)17-24-37(39)38-25-23-36(30-40(38)42)34-19-21-35(22-20-34)41-26-18-33(4)31-43-41;1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*12-9-3-1-8(2-4-9)11-6-5-10(13)7-14-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;7-5-1-2-6(8)4-3-5;6-4-1-2-5(7)8-3-4;;;;;;;;;;;;;/h31-37,39-50,55-60H,7-30,51-54H2,1-6H3;2*17-26,29-31H,5-16,27-28H2,1-4H3;23-26,29-30H,11-22,27-28H2,1-10H3;4*1-15H;2*1-7H;1-9H;2*1-6,8-9H;1-4H;1-3H;7*1H4;3*1H;;;/q-1;;;;;;;;;;;2*-1;;;;;;;;;;;;;;+3;/p-3.
What are the key properties of bis(5-bromo-2-(4-bromophenyl)pyridine);1,4-dibromobenzene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iridium;methane;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-5-[7-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]-9,9-dioctylfluoren-2-yl]pyridine;bis(5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine);palladium;2-phenylpyridine;bis(2-phenylpyridine);trichloroiridium;tetrakis(triphenylphosphane)?
bis(5-bromo-2-(4-bromophenyl)pyridine);1,4-dibromobenzene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iridium;methane;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-5-[7-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]-9,9-dioctylfluoren-2-yl]pyridine;bis(5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine);palladium;2-phenylpyridine;bis(2-phenylpyridine);trichloroiridium;tetrakis(triphenylphosphane) has a molecular weight of 6220.13 g/mol, XLogP of 102.92, 98 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-bromo-2-(4-bromophenyl)pyridine);1,4-dibromobenzene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iridium;methane;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-5-[7-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]-9,9-dioctylfluoren-2-yl]pyridine;bis(5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine);palladium;2-phenylpyridine;bis(2-phenylpyridine);trichloroiridium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 157215044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).