1-[2-[3,5-bis[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,6-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,5,6-trimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;tris(iridium)

C173H148Ir3N6O6-6 — CID 160838555

IUPAC1-[2-[3,5-bis[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,6-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,5,6-trimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;tris(iridium)
SMILESCC(O)=C(C)C(=O)CCc1ccccc1-c1cc(-c2ccccc2-c2c[c-]c(-c3cc(C)c(C)c(C)n3)cc2)cc(-c2ccccc2-c2c[c-]c(-c3cc(C)c(C)c(C)n3)cc2)c1.CC(O)=C(C)C(=O)CCc1ccccc1-c1cc(-c2ccccc2-c2c[c-]c(-c3cc(C)c(C)cn3)cc2)cc(-c2ccccc2-c2c[c-]c(-c3cc(C)c(C)cn3)cc2)c1.CC(O)=C(C)C(=O)CCc1ccccc1-c1cc(-c2ccccc2-c2c[c-]c(-c3cc(C)cc(C)n3)cc2)cc(-c2ccccc2-c2c[c-]c(-c3cc(C)cc(C)n3)cc2)c1.[Ir].[Ir].[Ir]
InChIInChI=1S/C59H52N2O2.2C57H48N2O2.3Ir/c1-36-31-57(60-41(6)38(36)3)47-25-21-45(22-26-47)53-17-11-13-19-55(53)50-33-49(52-16-10-9-15-44(52)29-30-59(63)40(5)43(8)62)34-51(35-50)56-20-14-12-18-54(56)46-23-27-48(28-24-46)58-32-37(2)39(4)42(7)61-58;1-36-29-55(58-34-38(36)3)45-23-19-43(20-24-45)51-15-9-11-17-53(51)48-31-47(50-14-8-7-13-42(50)27-28-57(61)40(5)41(6)60)32-49(33-48)54-18-12-10-16-52(54)44-21-25-46(26-22-44)56-30-37(2)39(4)35-59-56;1-36-29-38(3)58-55(31-36)45-23-19-43(20-24-45)51-15-9-11-17-53(51)48-33-47(50-14-8-7-13-42(50)27-28-57(61)40(5)41(6)60)34-49(35-48)54-18-12-10-16-52(54)44-21-25-46(26-22-44)56-32-37(2)30-39(4)59-56;;;/h9-25,27,31-35,62H,29-30H2,1-8H3;2*7-23,25,29-35,60H,27-28H2,1-6H3;;;/q3*-2;;;
InChIKeyKGZDGPIZBQSNNK-UHFFFAOYSA-N
MW2983.77 g/mol
LogP43.61
Rot. Bonds33

About 1-[2-[3,5-bis[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,6-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,5,6-trimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;tris(iridium)

1-[2-[3,5-bis[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,6-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,5,6-trimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;tris(iridium) (PubChem CID 160838555) has the molecular formula C173H148Ir3N6O6-6 and a molecular weight of 2983.77 g/mol. Its IUPAC name is 1-[2-[3,5-bis[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,6-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,5,6-trimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;tris(iridium).

Molecular Properties

Compound Name1-[2-[3,5-bis[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,6-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,5,6-trimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;tris(iridium)
PubChem CID160838555
Molecular FormulaC173H148Ir3N6O6-6
Molecular Weight2983.77 g/mol
Exact Mass2984.04
IUPAC Name1-[2-[3,5-bis[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,6-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,5,6-trimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;tris(iridium)
SMILESCC(O)=C(C)C(=O)CCc1ccccc1-c1cc(-c2ccccc2-c2c[c-]c(-c3cc(C)c(C)c(C)n3)cc2)cc(-c2ccccc2-c2c[c-]c(-c3cc(C)c(C)c(C)n3)cc2)c1.CC(O)=C(C)C(=O)CCc1ccccc1-c1cc(-c2ccccc2-c2c[c-]c(-c3cc(C)c(C)cn3)cc2)cc(-c2ccccc2-c2c[c-]c(-c3cc(C)c(C)cn3)cc2)c1.CC(O)=C(C)C(=O)CCc1ccccc1-c1cc(-c2ccccc2-c2c[c-]c(-c3cc(C)cc(C)n3)cc2)cc(-c2ccccc2-c2c[c-]c(-c3cc(C)cc(C)n3)cc2)c1.[Ir].[Ir].[Ir]
InChIInChI=1S/C59H52N2O2.2C57H48N2O2.3Ir/c1-36-31-57(60-41(6)38(36)3)47-25-21-45(22-26-47)53-17-11-13-19-55(53)50-33-49(52-16-10-9-15-44(52)29-30-59(63)40(5)43(8)62)34-51(35-50)56-20-14-12-18-54(56)46-23-27-48(28-24-46)58-32-37(2)39(4)42(7)61-58;1-36-29-55(58-34-38(36)3)45-23-19-43(20-24-45)51-15-9-11-17-53(51)48-31-47(50-14-8-7-13-42(50)27-28-57(61)40(5)41(6)60)32-49(33-48)54-18-12-10-16-52(54)44-21-25-46(26-22-44)56-30-37(2)39(4)35-59-56;1-36-29-38(3)58-55(31-36)45-23-19-43(20-24-45)51-15-9-11-17-53(51)48-33-47(50-14-8-7-13-42(50)27-28-57(61)40(5)41(6)60)34-49(35-48)54-18-12-10-16-52(54)44-21-25-46(26-22-44)56-32-37(2)30-39(4)59-56;;;/h9-25,27,31-35,62H,29-30H2,1-8H3;2*7-23,25,29-35,60H,27-28H2,1-6H3;;;/q3*-2;;;
InChIKeyKGZDGPIZBQSNNK-UHFFFAOYSA-N
XLogP43.61
TPSA189.24 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds33
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002983.77
LogP ≤ 543.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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'}

Analyze 1-[2-[3,5-bis[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,6-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,5,6-trimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;tris(iridium) with MolForge

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Related Compounds

(Z)-1-[2-[3,5-bis[2-(4,6-diphenylpyridin-3-yl)phenyl]phenyl]phenyl]-6,6,6-trifluoro-5-hydroxyhex-4-en-3-one
CID 137457137
(E)-1-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-fluoro-5-hydroxyhex-4-en-3-one
CID 137457138
(E)-1-[2-[3-[7-(2,4-diphenyl-4H-azepin-6-yl)cyclohepta-1,3,6-trien-1-yl]-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-fluoro-5-hydroxyhex-4-en-3-one
CID 156372165
(Z)-1-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-[2-[6-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-phenyl-3-pyridinyl]phenyl]phenyl]phenyl]-6,6,6-trifluoro-5-hydroxyhex-4-en-3-one
CID 156372186
CID 157255877
CID 157255877
tetrakis(5,5-dimethyl-3-(1H-naphthalen-1-id-2-yl)indeno[1,2-c]pyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium)
CID 157560595
benzoic acid;tetrakis(iridium);4-methyl-2-(1H-naphthalen-1-id-2-yl)-5-(trifluoromethyl)pyridine;tris(2-(1H-naphthalen-1-id-2-yl)-5-(trifluoromethyl)pyridine);bis(pentane-2,4-dione)
CID 157615852
1-(4-Tert-butylbenzene-6-id-1-yl)isoquinoline;1-(3,5-difluorobenzene-6-id-1-yl)isoquinoline;1-(4-fluoro-3-methylbenzene-6-id-1-yl)isoquinoline;pentakis(iridium);3-(3-methylbenzene-6-id-1-yl)isoquinoline;tris(pentane-2,4-dione);2,2,6,6-tetramethylheptane-3,5-dione;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline
CID 157644026
1-(4-Tert-butylbenzene-6-id-1-yl)isoquinoline;1-(3,5-difluorobenzene-6-id-1-yl)isoquinoline;1-(4-fluoro-3-methylbenzene-6-id-1-yl)isoquinoline;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(iridium);3-(3-methylbenzene-6-id-1-yl)isoquinoline;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline
CID 157832620
CID 157902245
CID 157902245
CID 158293752
CID 158293752
benzoic acid;tetrakis(iridium);tris(2-(1H-naphthalen-1-id-2-yl)-4-phenyl-5-(trifluoromethyl)pyridine);pentane-2,4-dione;2-(5-phenyl-1H-naphthalen-1-id-2-yl)-5-(trifluoromethyl)pyridine
CID 158661629

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3,5-bis[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,6-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,5,6-trimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;tris(iridium)?
The IUPAC name of 1-[2-[3,5-bis[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,6-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,5,6-trimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;tris(iridium) (CID 160838555) is 1-[2-[3,5-bis[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,6-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,5,6-trimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;tris(iridium).
What is the SMILES notation for 1-[2-[3,5-bis[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,6-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,5,6-trimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;tris(iridium)?
The canonical SMILES for 1-[2-[3,5-bis[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,6-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,5,6-trimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;tris(iridium) is CC(O)=C(C)C(=O)CCc1ccccc1-c1cc(-c2ccccc2-c2c[c-]c(-c3cc(C)c(C)c(C)n3)cc2)cc(-c2ccccc2-c2c[c-]c(-c3cc(C)c(C)c(C)n3)cc2)c1.CC(O)=C(C)C(=O)CCc1ccccc1-c1cc(-c2ccccc2-c2c[c-]c(-c3cc(C)c(C)cn3)cc2)cc(-c2ccccc2-c2c[c-]c(-c3cc(C)c(C)cn3)cc2)c1.CC(O)=C(C)C(=O)CCc1ccccc1-c1cc(-c2ccccc2-c2c[c-]c(-c3cc(C)cc(C)n3)cc2)cc(-c2ccccc2-c2c[c-]c(-c3cc(C)cc(C)n3)cc2)c1.[Ir].[Ir].[Ir].
What is the InChIKey of 1-[2-[3,5-bis[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,6-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,5,6-trimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;tris(iridium)?
The InChIKey is KGZDGPIZBQSNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H52N2O2.2C57H48N2O2.3Ir/c1-36-31-57(60-41(6)38(36)3)47-25-21-45(22-26-47)53-17-11-13-19-55(53)50-33-49(52-16-10-9-15-44(52)29-30-59(63)40(5)43(8)62)34-51(35-50)56-20-14-12-18-54(56)46-23-27-48(28-24-46)58-32-37(2)39(4)42(7)61-58;1-36-29-55(58-34-38(36)3)45-23-19-43(20-24-45)51-15-9-11-17-53(51)48-31-47(50-14-8-7-13-42(50)27-28-57(61)40(5)41(6)60)32-49(33-48)54-18-12-10-16-52(54)44-21-25-46(26-22-44)56-30-37(2)39(4)35-59-56;1-36-29-38(3)58-55(31-36)45-23-19-43(20-24-45)51-15-9-11-17-53(51)48-33-47(50-14-8-7-13-42(50)27-28-57(61)40(5)41(6)60)34-49(35-48)54-18-12-10-16-52(54)44-21-25-46(26-22-44)56-32-37(2)30-39(4)59-56;;;/h9-25,27,31-35,62H,29-30H2,1-8H3;2*7-23,25,29-35,60H,27-28H2,1-6H3;;;/q3*-2;;;.
What are the key properties of 1-[2-[3,5-bis[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,6-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,5,6-trimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;tris(iridium)?
1-[2-[3,5-bis[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,6-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,5,6-trimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;tris(iridium) has a molecular weight of 2983.77 g/mol, XLogP of 43.61, 33 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3,5-bis[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,6-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;1-[2-[3,5-bis[2-[4-(4,5,6-trimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-hydroxy-4-methylhex-4-en-3-one;tris(iridium) is sourced from PubChem (CID 160838555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).