5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-phenyl-2-phenylpyridine;1,1,2,2,3,3-hexamethyl-10H-indeno[4,5-h]quinolin-10-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene

C168H126Ir4N8O2-2 — CID 159627299

IUPAC5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-phenyl-2-phenylpyridine;1,1,2,2,3,3-hexamethyl-10H-indeno[4,5-h]quinolin-10-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene
SMILESCC(=O)C=C(C)O.CC1(C)c2c[c-]c3c(ccc4cccnc43)c2C(C)(C)C1(C)C.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3[c-]cccc3)nc2)cc(-c2ccccc2-c2ccc(-c3[c-]cccc3)nc2)c1.[Ir+3].[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)cc(-c3ccccc3-c3cnc(-c4[c-]cccc4)cc3-c3ccccc3)c2)cn1.[c-]1ccccc1-c1nc2ccccc2c2c1C1CCC2C1
InChIInChI=1S/C63H40N3.C58H38N3.C22H24N.C20H16N.C5H8O2.4Ir/c1-5-19-44(20-6-1)59-40-63(47-25-11-4-12-26-47)66-43-60(59)58-32-18-17-31-57(58)52-38-50(55-29-15-13-27-53(55)48-33-35-61(64-41-48)45-21-7-2-8-22-45)37-51(39-52)56-30-16-14-28-54(56)49-34-36-62(65-42-49)46-23-9-3-10-24-46;1-40-33-58(43-21-9-4-10-22-43)61-39-55(40)54-28-16-15-27-53(54)48-35-46(51-25-13-11-23-49(51)44-29-31-56(59-37-44)41-17-5-2-6-18-41)34-47(36-48)52-26-14-12-24-50(52)45-30-32-57(60-38-45)42-19-7-3-8-20-42;1-20(2)17-12-11-16-15(18(17)21(3,4)22(20,5)6)10-9-14-8-7-13-23-19(14)16;1-2-6-13(7-3-1)20-19-15-11-10-14(12-15)18(19)16-8-4-5-9-17(16)21-20;1-4(6)3-5(2)7;;;;/h1-21,23,25,27-43H;2-17,19,21,23-39H,1H3;7-10,12-13H,1-6H3;1-6,8-9,14-15H,10-12H2;3,6H,1-2H3;;;;/q2*-3;2*-1;;;;2*+3
InChIKeyGGKHMRNDSVCXLB-UHFFFAOYSA-N
MW3057.78 g/mol
LogP42.40
Rot. Bonds21

About 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-phenyl-2-phenylpyridine;1,1,2,2,3,3-hexamethyl-10H-indeno[4,5-h]quinolin-10-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene

5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-phenyl-2-phenylpyridine;1,1,2,2,3,3-hexamethyl-10H-indeno[4,5-h]quinolin-10-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene (PubChem CID 159627299) has the molecular formula C168H126Ir4N8O2-2 and a molecular weight of 3057.78 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-phenyl-2-phenylpyridine;1,1,2,2,3,3-hexamethyl-10H-indeno[4,5-h]quinolin-10-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene.

Molecular Properties

Compound Name5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-phenyl-2-phenylpyridine;1,1,2,2,3,3-hexamethyl-10H-indeno[4,5-h]quinolin-10-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene
PubChem CID159627299
Molecular FormulaC168H126Ir4N8O2-2
Molecular Weight3057.78 g/mol
Exact Mass3058.85
IUPAC Name5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-phenyl-2-phenylpyridine;1,1,2,2,3,3-hexamethyl-10H-indeno[4,5-h]quinolin-10-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene
SMILESCC(=O)C=C(C)O.CC1(C)c2c[c-]c3c(ccc4cccnc43)c2C(C)(C)C1(C)C.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3[c-]cccc3)nc2)cc(-c2ccccc2-c2ccc(-c3[c-]cccc3)nc2)c1.[Ir+3].[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)cc(-c3ccccc3-c3cnc(-c4[c-]cccc4)cc3-c3ccccc3)c2)cn1.[c-]1ccccc1-c1nc2ccccc2c2c1C1CCC2C1
InChIInChI=1S/C63H40N3.C58H38N3.C22H24N.C20H16N.C5H8O2.4Ir/c1-5-19-44(20-6-1)59-40-63(47-25-11-4-12-26-47)66-43-60(59)58-32-18-17-31-57(58)52-38-50(55-29-15-13-27-53(55)48-33-35-61(64-41-48)45-21-7-2-8-22-45)37-51(39-52)56-30-16-14-28-54(56)49-34-36-62(65-42-49)46-23-9-3-10-24-46;1-40-33-58(43-21-9-4-10-22-43)61-39-55(40)54-28-16-15-27-53(54)48-35-46(51-25-13-11-23-49(51)44-29-31-56(59-37-44)41-17-5-2-6-18-41)34-47(36-48)52-26-14-12-24-50(52)45-30-32-57(60-38-45)42-19-7-3-8-20-42;1-20(2)17-12-11-16-15(18(17)21(3,4)22(20,5)6)10-9-14-8-7-13-23-19(14)16;1-2-6-13(7-3-1)20-19-15-11-10-14(12-15)18(19)16-8-4-5-9-17(16)21-20;1-4(6)3-5(2)7;;;;/h1-21,23,25,27-43H;2-17,19,21,23-39H,1H3;7-10,12-13H,1-6H3;1-6,8-9,14-15H,10-12H2;3,6H,1-2H3;;;;/q2*-3;2*-1;;;;2*+3
InChIKeyGGKHMRNDSVCXLB-UHFFFAOYSA-N
XLogP42.40
TPSA140.42 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms182
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003057.78
LogP ≤ 542.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-phenyl-2-phenylpyridine;1,1,2,2,3,3-hexamethyl-10H-indeno[4,5-h]quinolin-10-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene with MolForge

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Related Compounds

15,15,16,16,17,17-hexamethyl-1,11-dihydrocyclopenta[a]phenanthrene-1,11-diide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));2-[4-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]-2-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]-3-phenyl-6-phenylpyridine;10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene;3-phenyl-6-phenyl-2-[4-[2-(4-phenyl-6-phenyl-3-pyridinyl)phenyl]-2-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]pyridine
CID 163695052
1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;4-hydroxypent-3-en-2-one;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-phenylpyridine
CID 159047004
10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 140719052
4,5-dimethyl-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;2-phenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyridine;2-phenyl-5-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyridine
CID 157152202
4-hydroxypent-3-en-2-one;tetrakis(iridium);4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;5-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;4-(6-phenyl-3-pyridinyl)benzonitrile
CID 157399670
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;iridium(3+)
CID 153458738
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)
CID 153457886
4-hydroxypent-3-en-2-one;pentakis(iridium);tetrakis(2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;tris(4-methyl-5-phenyl-2-phenylpyridine)
CID 159227888
8-cyclopropyl-7,7-dimethyl-6-phenylindeno[2,1-c]quinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 167354689
CID 161317382
CID 161317382
4-hydroxypent-3-en-2-one;pentakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;tetrakis(2-(3-methylbenzene-6-id-1-yl)pyridine);tris(4-methyl-5-phenyl-2-phenylpyridine)
CID 161433319
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-dibenzofuran-3-ylphenyl)-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-dibenzofuran-3-yl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;tris(iridium(3+))
CID 159641565

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-phenyl-2-phenylpyridine;1,1,2,2,3,3-hexamethyl-10H-indeno[4,5-h]quinolin-10-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene?
The IUPAC name of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-phenyl-2-phenylpyridine;1,1,2,2,3,3-hexamethyl-10H-indeno[4,5-h]quinolin-10-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene (CID 159627299) is 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-phenyl-2-phenylpyridine;1,1,2,2,3,3-hexamethyl-10H-indeno[4,5-h]quinolin-10-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene.
What is the SMILES notation for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-phenyl-2-phenylpyridine;1,1,2,2,3,3-hexamethyl-10H-indeno[4,5-h]quinolin-10-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene?
The canonical SMILES for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-phenyl-2-phenylpyridine;1,1,2,2,3,3-hexamethyl-10H-indeno[4,5-h]quinolin-10-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene is CC(=O)C=C(C)O.CC1(C)c2c[c-]c3c(ccc4cccnc43)c2C(C)(C)C1(C)C.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3[c-]cccc3)nc2)cc(-c2ccccc2-c2ccc(-c3[c-]cccc3)nc2)c1.[Ir+3].[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)cc(-c3ccccc3-c3cnc(-c4[c-]cccc4)cc3-c3ccccc3)c2)cn1.[c-]1ccccc1-c1nc2ccccc2c2c1C1CCC2C1.
What is the InChIKey of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-phenyl-2-phenylpyridine;1,1,2,2,3,3-hexamethyl-10H-indeno[4,5-h]quinolin-10-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene?
The InChIKey is GGKHMRNDSVCXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N3.C58H38N3.C22H24N.C20H16N.C5H8O2.4Ir/c1-5-19-44(20-6-1)59-40-63(47-25-11-4-12-26-47)66-43-60(59)58-32-18-17-31-57(58)52-38-50(55-29-15-13-27-53(55)48-33-35-61(64-41-48)45-21-7-2-8-22-45)37-51(39-52)56-30-16-14-28-54(56)49-34-36-62(65-42-49)46-23-9-3-10-24-46;1-40-33-58(43-21-9-4-10-22-43)61-39-55(40)54-28-16-15-27-53(54)48-35-46(51-25-13-11-23-49(51)44-29-31-56(59-37-44)41-17-5-2-6-18-41)34-47(36-48)52-26-14-12-24-50(52)45-30-32-57(60-38-45)42-19-7-3-8-20-42;1-20(2)17-12-11-16-15(18(17)21(3,4)22(20,5)6)10-9-14-8-7-13-23-19(14)16;1-2-6-13(7-3-1)20-19-15-11-10-14(12-15)18(19)16-8-4-5-9-17(16)21-20;1-4(6)3-5(2)7;;;;/h1-21,23,25,27-43H;2-17,19,21,23-39H,1H3;7-10,12-13H,1-6H3;1-6,8-9,14-15H,10-12H2;3,6H,1-2H3;;;;/q2*-3;2*-1;;;;2*+3.
What are the key properties of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-phenyl-2-phenylpyridine;1,1,2,2,3,3-hexamethyl-10H-indeno[4,5-h]quinolin-10-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene?
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-phenyl-2-phenylpyridine;1,1,2,2,3,3-hexamethyl-10H-indeno[4,5-h]quinolin-10-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene has a molecular weight of 3057.78 g/mol, XLogP of 42.40, 21 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-phenyl-2-phenylpyridine;1,1,2,2,3,3-hexamethyl-10H-indeno[4,5-h]quinolin-10-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene is sourced from PubChem (CID 159627299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).