2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(2-methyldibenzofuran-3-yl)pyridine;2-[4-[2-[3-[4,5-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(7-phenyldibenzothiophen-3-yl)pyridine;tris(iridium(3+));4-(4-methyldibenzofuran-3-yl)-2-[4-[2-[3-[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine

C219H142Ir3N9O2S — CID 157280008

IUPAC2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(2-methyldibenzofuran-3-yl)pyridine;2-[4-[2-[3-[4,5-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(7-phenyldibenzothiophen-3-yl)pyridine;tris(iridium(3+));4-(4-methyldibenzofuran-3-yl)-2-[4-[2-[3-[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
SMILESCc1cc(-c2c[c-]c(-c3ccccn3)cc2)c(-c2cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3)cc(-c3ccccc3-c3c[c-]c(-c4cc(-c5ccc6c(c5)sc5cc(-c7ccccc7)ccc56)ccn4)cc3)c2)cc1C.Cc1cc2c(cc1-c1ccnc(-c3[c-]cc(-c4ccccc4-c4cc(-c5ccccc5-c5c[c-]c(-c6ccccn6)cc5)cc(-c5ccccc5-c5c[c-]c(-c6ccccn6)cc5)c4)cc3)c1)oc1ccccc12.Cc1ccc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5cc(C)ccn5)cc4)cc(-c4ccccc4-c4c[c-]c(-c5cc(-c6ccc7c(oc8ccccc87)c6C)ccn5)cc4)c3)cc2)nc1.[Ir+3].[Ir+3].[Ir+3]
InChIInChI=1S/C77H50N3S.C72H48N3O.C70H44N3O.3Ir/c1-50-42-71(55-26-30-57(31-27-55)74-21-11-13-40-79-74)72(43-51(50)2)64-45-62(67-18-8-6-16-65(67)53-22-28-56(29-23-53)73-20-10-12-39-78-73)44-63(46-64)68-19-9-7-17-66(68)54-24-32-58(33-25-54)75-47-61(38-41-80-75)60-35-37-70-69-36-34-59(52-14-4-3-5-15-52)48-76(69)81-77(70)49-60;1-46-36-38-73-69(40-46)53-29-23-50(24-30-53)61-13-5-8-16-64(61)57-41-56(63-15-7-4-12-60(63)49-21-27-52(28-22-49)68-35-20-47(2)45-75-68)42-58(43-57)65-17-9-6-14-62(65)51-25-31-54(32-26-51)70-44-55(37-39-74-70)59-33-34-67-66-18-10-11-19-71(66)76-72(67)48(59)3;1-46-40-65-63-20-8-9-23-69(63)74-70(65)45-64(46)53-36-39-73-68(44-53)52-34-28-49(29-35-52)59-16-4-7-19-62(59)56-42-54(60-17-5-2-14-57(60)47-24-30-50(31-25-47)66-21-10-12-37-71-66)41-55(43-56)61-18-6-3-15-58(61)48-26-32-51(33-27-48)67-22-11-13-38-72-67;;;/h3-28,30,32,34-49H,1-2H3;4-27,29,31,33-45H,1-3H3;2-30,32,34,36-45H,1H3;;;/q3*-3;3*+3
InChIKeySCEMAFNVENBXTC-UHFFFAOYSA-N
MW3540.32 g/mol
LogP57.50
Rot. Bonds31

About 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(2-methyldibenzofuran-3-yl)pyridine;2-[4-[2-[3-[4,5-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(7-phenyldibenzothiophen-3-yl)pyridine;tris(iridium(3+));4-(4-methyldibenzofuran-3-yl)-2-[4-[2-[3-[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine

2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(2-methyldibenzofuran-3-yl)pyridine;2-[4-[2-[3-[4,5-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(7-phenyldibenzothiophen-3-yl)pyridine;tris(iridium(3+));4-(4-methyldibenzofuran-3-yl)-2-[4-[2-[3-[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine (PubChem CID 157280008) has the molecular formula C219H142Ir3N9O2S and a molecular weight of 3540.32 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(2-methyldibenzofuran-3-yl)pyridine;2-[4-[2-[3-[4,5-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(7-phenyldibenzothiophen-3-yl)pyridine;tris(iridium(3+));4-(4-methyldibenzofuran-3-yl)-2-[4-[2-[3-[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(2-methyldibenzofuran-3-yl)pyridine;2-[4-[2-[3-[4,5-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(7-phenyldibenzothiophen-3-yl)pyridine;tris(iridium(3+));4-(4-methyldibenzofuran-3-yl)-2-[4-[2-[3-[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
PubChem CID157280008
Molecular FormulaC219H142Ir3N9O2S
Molecular Weight3540.32 g/mol
Exact Mass3539.99
IUPAC Name2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(2-methyldibenzofuran-3-yl)pyridine;2-[4-[2-[3-[4,5-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(7-phenyldibenzothiophen-3-yl)pyridine;tris(iridium(3+));4-(4-methyldibenzofuran-3-yl)-2-[4-[2-[3-[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
SMILESCc1cc(-c2c[c-]c(-c3ccccn3)cc2)c(-c2cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3)cc(-c3ccccc3-c3c[c-]c(-c4cc(-c5ccc6c(c5)sc5cc(-c7ccccc7)ccc56)ccn4)cc3)c2)cc1C.Cc1cc2c(cc1-c1ccnc(-c3[c-]cc(-c4ccccc4-c4cc(-c5ccccc5-c5c[c-]c(-c6ccccn6)cc5)cc(-c5ccccc5-c5c[c-]c(-c6ccccn6)cc5)c4)cc3)c1)oc1ccccc12.Cc1ccc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5cc(C)ccn5)cc4)cc(-c4ccccc4-c4c[c-]c(-c5cc(-c6ccc7c(oc8ccccc87)c6C)ccn5)cc4)c3)cc2)nc1.[Ir+3].[Ir+3].[Ir+3]
InChIInChI=1S/C77H50N3S.C72H48N3O.C70H44N3O.3Ir/c1-50-42-71(55-26-30-57(31-27-55)74-21-11-13-40-79-74)72(43-51(50)2)64-45-62(67-18-8-6-16-65(67)53-22-28-56(29-23-53)73-20-10-12-39-78-73)44-63(46-64)68-19-9-7-17-66(68)54-24-32-58(33-25-54)75-47-61(38-41-80-75)60-35-37-70-69-36-34-59(52-14-4-3-5-15-52)48-76(69)81-77(70)49-60;1-46-36-38-73-69(40-46)53-29-23-50(24-30-53)61-13-5-8-16-64(61)57-41-56(63-15-7-4-12-60(63)49-21-27-52(28-22-49)68-35-20-47(2)45-75-68)42-58(43-57)65-17-9-6-14-62(65)51-25-31-54(32-26-51)70-44-55(37-39-74-70)59-33-34-67-66-18-10-11-19-71(66)76-72(67)48(59)3;1-46-40-65-63-20-8-9-23-69(63)74-70(65)45-64(46)53-36-39-73-68(44-53)52-34-28-49(29-35-52)59-16-4-7-19-62(59)56-42-54(60-17-5-2-14-57(60)47-24-30-50(31-25-47)66-21-10-12-37-71-66)41-55(43-56)61-18-6-3-15-58(61)48-26-32-51(33-27-48)67-22-11-13-38-72-67;;;/h3-28,30,32,34-49H,1-2H3;4-27,29,31,33-45H,1-3H3;2-30,32,34,36-45H,1H3;;;/q3*-3;3*+3
InChIKeySCEMAFNVENBXTC-UHFFFAOYSA-N
XLogP57.50
TPSA142.29 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds31
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003540.32
LogP ≤ 557.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(2-methyldibenzofuran-3-yl)pyridine;2-[4-[2-[3-[4,5-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(7-phenyldibenzothiophen-3-yl)pyridine;tris(iridium(3+));4-(4-methyldibenzofuran-3-yl)-2-[4-[2-[3-[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

CID 157225149
CID 157225149
Benzene;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;naphthalene;tris(pyridine);toluene;trifluoromethylbenzene
CID 157289789
bis(iridium);methanol;2-(4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine;2-naphtho[2,3-b][1]benzofuran-4-ylpyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;trifluoromethanesulfonic acid
CID 159662378
bis(iridium);methane;methanol;2-(4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine;2-naphtho[2,3-b][1]benzofuran-4-ylpyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;trifluoromethanesulfonic acid
CID 159693055
CID 159961606
CID 159961606
CID 160035174
CID 160035174
CID 160103363
CID 160103363
6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);6-(3,5-dimethylbenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;tetrakis(iridium)
CID 160273940
2-Tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;4-tert-butyl-1-methoxy-2-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 160821444
6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;tris(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);bis(6-(3,5-dimethylbenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline);tetrakis(iridium);1,1,1-trifluoro-4-hydroxy-5,5-dimethylhex-3-en-2-one
CID 161020065
[7-[[2-(2,6-Diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-4,4-difluoroheptyl] prop-2-enoate;[4,4-difluoro-7-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]heptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]heptyl] prop-2-enoate;[4,4-difluoro-7-[[2-(2-methyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]heptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[[2-(2-methyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]heptyl] prop-2-enoate;[4,4-difluoro-7-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]heptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]heptyl] prop-2-enoate
CID 161607841
3-[2-(1-Benzofuran-5-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(1-benzofuran-6-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[4-(dimethylamino)phenyl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxylic acid)
CID 161945032

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(2-methyldibenzofuran-3-yl)pyridine;2-[4-[2-[3-[4,5-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(7-phenyldibenzothiophen-3-yl)pyridine;tris(iridium(3+));4-(4-methyldibenzofuran-3-yl)-2-[4-[2-[3-[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(2-methyldibenzofuran-3-yl)pyridine;2-[4-[2-[3-[4,5-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(7-phenyldibenzothiophen-3-yl)pyridine;tris(iridium(3+));4-(4-methyldibenzofuran-3-yl)-2-[4-[2-[3-[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine (CID 157280008) is 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(2-methyldibenzofuran-3-yl)pyridine;2-[4-[2-[3-[4,5-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(7-phenyldibenzothiophen-3-yl)pyridine;tris(iridium(3+));4-(4-methyldibenzofuran-3-yl)-2-[4-[2-[3-[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(2-methyldibenzofuran-3-yl)pyridine;2-[4-[2-[3-[4,5-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(7-phenyldibenzothiophen-3-yl)pyridine;tris(iridium(3+));4-(4-methyldibenzofuran-3-yl)-2-[4-[2-[3-[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(2-methyldibenzofuran-3-yl)pyridine;2-[4-[2-[3-[4,5-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(7-phenyldibenzothiophen-3-yl)pyridine;tris(iridium(3+));4-(4-methyldibenzofuran-3-yl)-2-[4-[2-[3-[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine is Cc1cc(-c2c[c-]c(-c3ccccn3)cc2)c(-c2cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3)cc(-c3ccccc3-c3c[c-]c(-c4cc(-c5ccc6c(c5)sc5cc(-c7ccccc7)ccc56)ccn4)cc3)c2)cc1C.Cc1cc2c(cc1-c1ccnc(-c3[c-]cc(-c4ccccc4-c4cc(-c5ccccc5-c5c[c-]c(-c6ccccn6)cc5)cc(-c5ccccc5-c5c[c-]c(-c6ccccn6)cc5)c4)cc3)c1)oc1ccccc12.Cc1ccc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5cc(C)ccn5)cc4)cc(-c4ccccc4-c4c[c-]c(-c5cc(-c6ccc7c(oc8ccccc87)c6C)ccn5)cc4)c3)cc2)nc1.[Ir+3].[Ir+3].[Ir+3].
What is the InChIKey of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(2-methyldibenzofuran-3-yl)pyridine;2-[4-[2-[3-[4,5-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(7-phenyldibenzothiophen-3-yl)pyridine;tris(iridium(3+));4-(4-methyldibenzofuran-3-yl)-2-[4-[2-[3-[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine?
The InChIKey is SCEMAFNVENBXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H50N3S.C72H48N3O.C70H44N3O.3Ir/c1-50-42-71(55-26-30-57(31-27-55)74-21-11-13-40-79-74)72(43-51(50)2)64-45-62(67-18-8-6-16-65(67)53-22-28-56(29-23-53)73-20-10-12-39-78-73)44-63(46-64)68-19-9-7-17-66(68)54-24-32-58(33-25-54)75-47-61(38-41-80-75)60-35-37-70-69-36-34-59(52-14-4-3-5-15-52)48-76(69)81-77(70)49-60;1-46-36-38-73-69(40-46)53-29-23-50(24-30-53)61-13-5-8-16-64(61)57-41-56(63-15-7-4-12-60(63)49-21-27-52(28-22-49)68-35-20-47(2)45-75-68)42-58(43-57)65-17-9-6-14-62(65)51-25-31-54(32-26-51)70-44-55(37-39-74-70)59-33-34-67-66-18-10-11-19-71(66)76-72(67)48(59)3;1-46-40-65-63-20-8-9-23-69(63)74-70(65)45-64(46)53-36-39-73-68(44-53)52-34-28-49(29-35-52)59-16-4-7-19-62(59)56-42-54(60-17-5-2-14-57(60)47-24-30-50(31-25-47)66-21-10-12-37-71-66)41-55(43-56)61-18-6-3-15-58(61)48-26-32-51(33-27-48)67-22-11-13-38-72-67;;;/h3-28,30,32,34-49H,1-2H3;4-27,29,31,33-45H,1-3H3;2-30,32,34,36-45H,1H3;;;/q3*-3;3*+3.
What are the key properties of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(2-methyldibenzofuran-3-yl)pyridine;2-[4-[2-[3-[4,5-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(7-phenyldibenzothiophen-3-yl)pyridine;tris(iridium(3+));4-(4-methyldibenzofuran-3-yl)-2-[4-[2-[3-[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine?
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(2-methyldibenzofuran-3-yl)pyridine;2-[4-[2-[3-[4,5-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(7-phenyldibenzothiophen-3-yl)pyridine;tris(iridium(3+));4-(4-methyldibenzofuran-3-yl)-2-[4-[2-[3-[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine has a molecular weight of 3540.32 g/mol, XLogP of 57.50, 31 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(2-methyldibenzofuran-3-yl)pyridine;2-[4-[2-[3-[4,5-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(7-phenyldibenzothiophen-3-yl)pyridine;tris(iridium(3+));4-(4-methyldibenzofuran-3-yl)-2-[4-[2-[3-[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 157280008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).