2-[4-[2-[3,5-bis[2-[2-[3-(3,5-diphenylphenyl)phenyl]-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-[2-(3-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;tetrakis(iridium(3+));tetrakis(platinum(2+))

C356H224Ir4N20O4Pt4 — CID 158881462

IUPAC2-[4-[2-[3,5-bis[2-[2-[3-(3,5-diphenylphenyl)phenyl]-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-[2-(3-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;tetrakis(iridium(3+));tetrakis(platinum(2+))
SMILES[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)c(Oc2[c-]c(-c3ccccn3)ccc2)[c-]c1-c1ncccn1.[c-]1cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3-c3cccc(-c4ccccc4)c3)cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3-c3cccc(-c4ccccc4)c3)c2)c(Oc2[c-]c(-c3ccccn3)ccc2)[c-]c1-c1ncccn1.[c-]1cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3-c3ccccc3)cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3-c3ccccc3)c2)c(Oc2[c-]c(-c3ccccn3)ccc2)[c-]c1-c1ncccn1.[c-]1cc(-c2ccccc2-c2cc(CCc3c[c-]c(-c4ccccn4)cc3-c3ccccc3)cc(CCc3c[c-]c(-c4ccccn4)cc3-c3ccccc3)c2)c(Oc2[c-]c(-c3ccccn3)ccc2)[c-]c1-c1ncccn1
InChIInChI=1S/C115H72N5O.C91H56N5O.C79H48N5O.C71H48N5O.4Ir.4Pt/c1-5-29-78(30-6-1)90-65-91(79-31-7-2-8-32-79)68-94(67-90)82-37-25-39-84(63-82)109-75-87(112-50-20-23-59-117-112)52-55-106(109)103-46-16-13-43-100(103)96-71-97(73-98(72-96)102-45-15-18-48-105(102)108-57-54-89(115-119-61-28-62-120-115)77-114(108)121-99-42-27-41-86(74-99)111-49-19-22-58-116-111)101-44-14-17-47-104(101)107-56-53-88(113-51-21-24-60-118-113)76-110(107)85-40-26-38-83(64-85)95-69-92(80-33-9-3-10-34-80)66-93(70-95)81-35-11-4-12-36-81;1-3-23-62(24-4-1)64-27-19-29-66(53-64)85-59-69(88-40-14-17-49-93-88)42-45-82(85)79-36-10-7-33-76(79)72-55-73(77-34-8-11-37-80(77)83-46-43-70(89-41-15-18-50-94-89)60-86(83)67-30-20-28-65(54-67)63-25-5-2-6-26-63)57-74(56-72)78-35-9-12-38-81(78)84-47-44-71(91-95-51-22-52-96-91)61-90(84)97-75-32-21-31-68(58-75)87-39-13-16-48-92-87;1-3-21-54(22-4-1)73-51-57(76-34-14-17-43-81-76)36-39-70(73)67-30-10-7-27-64(67)60-47-61(65-28-8-11-31-68(65)71-40-37-58(77-35-15-18-44-82-77)52-74(71)55-23-5-2-6-24-55)49-62(48-60)66-29-9-12-32-69(66)72-41-38-59(79-83-45-20-46-84-79)53-78(72)85-63-26-19-25-56(50-63)75-33-13-16-42-80-75;1-3-17-52(18-4-1)65-47-57(68-26-10-13-39-73-68)34-32-54(65)30-28-50-43-51(29-31-55-33-35-58(69-27-11-14-40-74-69)48-66(55)53-19-5-2-6-20-53)45-60(44-50)62-23-7-8-24-63(62)64-37-36-59(71-75-41-16-42-76-71)49-70(64)77-61-22-15-21-56(46-61)67-25-9-12-38-72-67;;;;;;;;/h1-51,55-73,75-76H;1-41,45-57,59-60H;1-35,39-49,51-52H;1-27,32-33,37-45,47-48H,28-31H2;;;;;;;;/q4*-5;4*+3;4*+2
InChIKeyBWXRJNLXCYCDBB-UHFFFAOYSA-N
MW6395.02 g/mol
LogP88.05
Rot. Bonds66

About 2-[4-[2-[3,5-bis[2-[2-[3-(3,5-diphenylphenyl)phenyl]-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-[2-(3-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;tetrakis(iridium(3+));tetrakis(platinum(2+))

2-[4-[2-[3,5-bis[2-[2-[3-(3,5-diphenylphenyl)phenyl]-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-[2-(3-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;tetrakis(iridium(3+));tetrakis(platinum(2+)) (PubChem CID 158881462) has the molecular formula C356H224Ir4N20O4Pt4 and a molecular weight of 6395.02 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-[2-[3-(3,5-diphenylphenyl)phenyl]-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-[2-(3-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;tetrakis(iridium(3+));tetrakis(platinum(2+)).

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-[2-[3-(3,5-diphenylphenyl)phenyl]-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-[2-(3-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;tetrakis(iridium(3+));tetrakis(platinum(2+))
PubChem CID158881462
Molecular FormulaC356H224Ir4N20O4Pt4
Molecular Weight6395.02 g/mol
Exact Mass6393.50
IUPAC Name2-[4-[2-[3,5-bis[2-[2-[3-(3,5-diphenylphenyl)phenyl]-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-[2-(3-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;tetrakis(iridium(3+));tetrakis(platinum(2+))
SMILES[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)c(Oc2[c-]c(-c3ccccn3)ccc2)[c-]c1-c1ncccn1.[c-]1cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3-c3cccc(-c4ccccc4)c3)cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3-c3cccc(-c4ccccc4)c3)c2)c(Oc2[c-]c(-c3ccccn3)ccc2)[c-]c1-c1ncccn1.[c-]1cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3-c3ccccc3)cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3-c3ccccc3)c2)c(Oc2[c-]c(-c3ccccn3)ccc2)[c-]c1-c1ncccn1.[c-]1cc(-c2ccccc2-c2cc(CCc3c[c-]c(-c4ccccn4)cc3-c3ccccc3)cc(CCc3c[c-]c(-c4ccccn4)cc3-c3ccccc3)c2)c(Oc2[c-]c(-c3ccccn3)ccc2)[c-]c1-c1ncccn1
InChIInChI=1S/C115H72N5O.C91H56N5O.C79H48N5O.C71H48N5O.4Ir.4Pt/c1-5-29-78(30-6-1)90-65-91(79-31-7-2-8-32-79)68-94(67-90)82-37-25-39-84(63-82)109-75-87(112-50-20-23-59-117-112)52-55-106(109)103-46-16-13-43-100(103)96-71-97(73-98(72-96)102-45-15-18-48-105(102)108-57-54-89(115-119-61-28-62-120-115)77-114(108)121-99-42-27-41-86(74-99)111-49-19-22-58-116-111)101-44-14-17-47-104(101)107-56-53-88(113-51-21-24-60-118-113)76-110(107)85-40-26-38-83(64-85)95-69-92(80-33-9-3-10-34-80)66-93(70-95)81-35-11-4-12-36-81;1-3-23-62(24-4-1)64-27-19-29-66(53-64)85-59-69(88-40-14-17-49-93-88)42-45-82(85)79-36-10-7-33-76(79)72-55-73(77-34-8-11-37-80(77)83-46-43-70(89-41-15-18-50-94-89)60-86(83)67-30-20-28-65(54-67)63-25-5-2-6-26-63)57-74(56-72)78-35-9-12-38-81(78)84-47-44-71(91-95-51-22-52-96-91)61-90(84)97-75-32-21-31-68(58-75)87-39-13-16-48-92-87;1-3-21-54(22-4-1)73-51-57(76-34-14-17-43-81-76)36-39-70(73)67-30-10-7-27-64(67)60-47-61(65-28-8-11-31-68(65)71-40-37-58(77-35-15-18-44-82-77)52-74(71)55-23-5-2-6-24-55)49-62(48-60)66-29-9-12-32-69(66)72-41-38-59(79-83-45-20-46-84-79)53-78(72)85-63-26-19-25-56(50-63)75-33-13-16-42-80-75;1-3-17-52(18-4-1)65-47-57(68-26-10-13-39-73-68)34-32-54(65)30-28-50-43-51(29-31-55-33-35-58(69-27-11-14-40-74-69)48-66(55)53-19-5-2-6-20-53)45-60(44-50)62-23-7-8-24-63(62)64-37-36-59(71-75-41-16-42-76-71)49-70(64)77-61-22-15-21-56(46-61)67-25-9-12-38-72-67;;;;;;;;/h1-51,55-73,75-76H;1-41,45-57,59-60H;1-35,39-49,51-52H;1-27,32-33,37-45,47-48H,28-31H2;;;;;;;;/q4*-5;4*+3;4*+2
InChIKeyBWXRJNLXCYCDBB-UHFFFAOYSA-N
XLogP88.05
TPSA294.72 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds66
Heavy Atoms388
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006395.02
LogP ≤ 588.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-[4-[2-[3,5-bis[2-[2-[3-(3,5-diphenylphenyl)phenyl]-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-[2-(3-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;tetrakis(iridium(3+));tetrakis(platinum(2+)) with MolForge

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Related Compounds

iridium(3+);platinum(2+);2-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-4-pyrimidin-2-ylbenzene-3,5-diid-1-yl]phenyl]-4,6-bis[2-(4-pyrimidin-2-ylbenzene-5-id-1-yl)phenyl]-1,3,5-triazine
CID 156674243
2-[4-[2-[3,5-bis[3-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-4-yl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;iridium(3+);platinum(2+)
CID 156674268
iridium(3+);3-[4-[2-[4-[2-(4-isoquinolin-3-ylbenzene-5-id-1-yl)phenyl]-6-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-4-pyrimidin-2-ylbenzene-3,5-diid-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;platinum(2+)
CID 156674281
2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]-3-bromobenzene-6-id-1-yl]pyridine;iridium(3+)
CID 165148640
iridium(3+);2-phenyl-6-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-(6-phenyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 153458434
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-4-tert-butylpyridine;iridium(3+)
CID 166565448
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;iridium(3+)
CID 165149173
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine
CID 164776327
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]benzene-6-id-1-yl]-4-[4-(3-phenylphenyl)phenyl]pyridine;iridium(3+)
CID 165148822
2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]pyrimidine;2-[3-bromo-4-[2-[3-[2-(2-bromo-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium(3+))
CID 153434575
2-[4-[2-[3,5-bis[2-(2-fluoro-4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(4-phenylphenyl)pyridine;iridium(3+)
CID 165148622
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(3-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium(3+)
CID 153458228

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-[2-[3-(3,5-diphenylphenyl)phenyl]-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-[2-(3-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;tetrakis(iridium(3+));tetrakis(platinum(2+))?
The IUPAC name of 2-[4-[2-[3,5-bis[2-[2-[3-(3,5-diphenylphenyl)phenyl]-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-[2-(3-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;tetrakis(iridium(3+));tetrakis(platinum(2+)) (CID 158881462) is 2-[4-[2-[3,5-bis[2-[2-[3-(3,5-diphenylphenyl)phenyl]-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-[2-(3-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;tetrakis(iridium(3+));tetrakis(platinum(2+)).
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-[2-[3-(3,5-diphenylphenyl)phenyl]-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-[2-(3-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;tetrakis(iridium(3+));tetrakis(platinum(2+))?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-[2-[3-(3,5-diphenylphenyl)phenyl]-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-[2-(3-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;tetrakis(iridium(3+));tetrakis(platinum(2+)) is [Ir+3].[Ir+3].[Ir+3].[Ir+3].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)c(Oc2[c-]c(-c3ccccn3)ccc2)[c-]c1-c1ncccn1.[c-]1cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3-c3cccc(-c4ccccc4)c3)cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3-c3cccc(-c4ccccc4)c3)c2)c(Oc2[c-]c(-c3ccccn3)ccc2)[c-]c1-c1ncccn1.[c-]1cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3-c3ccccc3)cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3-c3ccccc3)c2)c(Oc2[c-]c(-c3ccccn3)ccc2)[c-]c1-c1ncccn1.[c-]1cc(-c2ccccc2-c2cc(CCc3c[c-]c(-c4ccccn4)cc3-c3ccccc3)cc(CCc3c[c-]c(-c4ccccn4)cc3-c3ccccc3)c2)c(Oc2[c-]c(-c3ccccn3)ccc2)[c-]c1-c1ncccn1.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-[2-[3-(3,5-diphenylphenyl)phenyl]-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-[2-(3-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;tetrakis(iridium(3+));tetrakis(platinum(2+))?
The InChIKey is BWXRJNLXCYCDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C115H72N5O.C91H56N5O.C79H48N5O.C71H48N5O.4Ir.4Pt/c1-5-29-78(30-6-1)90-65-91(79-31-7-2-8-32-79)68-94(67-90)82-37-25-39-84(63-82)109-75-87(112-50-20-23-59-117-112)52-55-106(109)103-46-16-13-43-100(103)96-71-97(73-98(72-96)102-45-15-18-48-105(102)108-57-54-89(115-119-61-28-62-120-115)77-114(108)121-99-42-27-41-86(74-99)111-49-19-22-58-116-111)101-44-14-17-47-104(101)107-56-53-88(113-51-21-24-60-118-113)76-110(107)85-40-26-38-83(64-85)95-69-92(80-33-9-3-10-34-80)66-93(70-95)81-35-11-4-12-36-81;1-3-23-62(24-4-1)64-27-19-29-66(53-64)85-59-69(88-40-14-17-49-93-88)42-45-82(85)79-36-10-7-33-76(79)72-55-73(77-34-8-11-37-80(77)83-46-43-70(89-41-15-18-50-94-89)60-86(83)67-30-20-28-65(54-67)63-25-5-2-6-26-63)57-74(56-72)78-35-9-12-38-81(78)84-47-44-71(91-95-51-22-52-96-91)61-90(84)97-75-32-21-31-68(58-75)87-39-13-16-48-92-87;1-3-21-54(22-4-1)73-51-57(76-34-14-17-43-81-76)36-39-70(73)67-30-10-7-27-64(67)60-47-61(65-28-8-11-31-68(65)71-40-37-58(77-35-15-18-44-82-77)52-74(71)55-23-5-2-6-24-55)49-62(48-60)66-29-9-12-32-69(66)72-41-38-59(79-83-45-20-46-84-79)53-78(72)85-63-26-19-25-56(50-63)75-33-13-16-42-80-75;1-3-17-52(18-4-1)65-47-57(68-26-10-13-39-73-68)34-32-54(65)30-28-50-43-51(29-31-55-33-35-58(69-27-11-14-40-74-69)48-66(55)53-19-5-2-6-20-53)45-60(44-50)62-23-7-8-24-63(62)64-37-36-59(71-75-41-16-42-76-71)49-70(64)77-61-22-15-21-56(46-61)67-25-9-12-38-72-67;;;;;;;;/h1-51,55-73,75-76H;1-41,45-57,59-60H;1-35,39-49,51-52H;1-27,32-33,37-45,47-48H,28-31H2;;;;;;;;/q4*-5;4*+3;4*+2.
What are the key properties of 2-[4-[2-[3,5-bis[2-[2-[3-(3,5-diphenylphenyl)phenyl]-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-[2-(3-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;tetrakis(iridium(3+));tetrakis(platinum(2+))?
2-[4-[2-[3,5-bis[2-[2-[3-(3,5-diphenylphenyl)phenyl]-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-[2-(3-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;tetrakis(iridium(3+));tetrakis(platinum(2+)) has a molecular weight of 6395.02 g/mol, XLogP of 88.05, 66 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis[2-[2-[3-(3,5-diphenylphenyl)phenyl]-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-[2-(3-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;tetrakis(iridium(3+));tetrakis(platinum(2+)) is sourced from PubChem (CID 158881462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).