3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[5-[3-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-9-yl]phenyl]-1-ethyl-3-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexyl]phenyl]carbazole;9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)-5-[4-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]dibenzofuran-2-yl]carbazole;iridium;iridium(3+);tris(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)

C248H195Ir2N16O3S-2 — CID 157152816

IUPAC3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[5-[3-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-9-yl]phenyl]-1-ethyl-3-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexyl]phenyl]carbazole;9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)-5-[4-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]dibenzofuran-2-yl]carbazole;iridium;iridium(3+);tris(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)
SMILESCCC(CC(C)c1cc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)c1)c1c[c-]c(-c2nccn2-c2c(C)cc(C)cc2C)cc1.CCC(CC(CC(C)c1cccc(-n2c3ccccc3c3cc(-c4ccc5sc6ccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)cc6c5c4)ccc32)c1)c1c[c-]c(-c2nccn2-c2c(C)cc(C)cc2C)cc1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.[Ir+3].[Ir]
InChIInChI=1S/C116H85N6OS.C78H59N4O2.3C18H17N2.2Ir/c1-6-75(79-23-20-26-88(63-79)121-108-39-18-12-33-96(108)97-65-81(44-50-110(97)121)83-46-52-111-99(67-83)100-70-90(49-53-112(100)123-111)122-105-36-15-9-30-93(105)94-31-10-16-37-106(94)122)61-86(76-40-42-77(43-41-76)116-117-56-57-118(116)115-73(4)58-71(2)59-74(115)5)60-72(3)78-22-19-25-87(62-78)120-107-38-17-11-32-95(107)98-66-82(45-51-109(98)120)85-48-55-114-102(69-85)101-68-84(47-54-113(101)124-114)80-24-21-27-89(64-80)119-103-34-13-7-28-91(103)92-29-8-14-35-104(92)119;1-6-51(52-23-25-53(26-24-52)78-79-35-36-80(78)77-49(4)37-47(2)38-50(77)5)39-48(3)56-40-57(54-27-31-73-65(43-54)67-45-59(29-33-75(67)83-73)81-69-19-11-7-15-61(69)62-16-8-12-20-70(62)81)42-58(41-56)55-28-32-74-66(44-55)68-46-60(30-34-76(68)84-74)82-71-21-13-9-17-63(71)64-18-10-14-22-72(64)82;3*1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;;/h7-42,44-59,62-70,72,75,86H,6,60-61H2,1-5H3;7-25,27-38,40-46,48,51H,6,39H2,1-5H3;3*4-7,9-12H,1-3H3;;/q5*-1;;+3
InChIKeyLMQSICZBDLEGOA-UHFFFAOYSA-N
MW3863.90 g/mol
LogP65.85
Rot. Bonds34

About 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[5-[3-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-9-yl]phenyl]-1-ethyl-3-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexyl]phenyl]carbazole;9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)-5-[4-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]dibenzofuran-2-yl]carbazole;iridium;iridium(3+);tris(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)

3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[5-[3-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-9-yl]phenyl]-1-ethyl-3-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexyl]phenyl]carbazole;9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)-5-[4-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]dibenzofuran-2-yl]carbazole;iridium;iridium(3+);tris(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole) (PubChem CID 157152816) has the molecular formula C248H195Ir2N16O3S-2 and a molecular weight of 3863.90 g/mol. Its IUPAC name is 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[5-[3-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-9-yl]phenyl]-1-ethyl-3-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexyl]phenyl]carbazole;9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)-5-[4-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]dibenzofuran-2-yl]carbazole;iridium;iridium(3+);tris(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole).

Molecular Properties

Compound Name3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[5-[3-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-9-yl]phenyl]-1-ethyl-3-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexyl]phenyl]carbazole;9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)-5-[4-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]dibenzofuran-2-yl]carbazole;iridium;iridium(3+);tris(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)
PubChem CID157152816
Molecular FormulaC248H195Ir2N16O3S-2
Molecular Weight3863.90 g/mol
Exact Mass3862.46
IUPAC Name3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[5-[3-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-9-yl]phenyl]-1-ethyl-3-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexyl]phenyl]carbazole;9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)-5-[4-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]dibenzofuran-2-yl]carbazole;iridium;iridium(3+);tris(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)
SMILESCCC(CC(C)c1cc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)c1)c1c[c-]c(-c2nccn2-c2c(C)cc(C)cc2C)cc1.CCC(CC(CC(C)c1cccc(-n2c3ccccc3c3cc(-c4ccc5sc6ccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)cc6c5c4)ccc32)c1)c1c[c-]c(-c2nccn2-c2c(C)cc(C)cc2C)cc1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.[Ir+3].[Ir]
InChIInChI=1S/C116H85N6OS.C78H59N4O2.3C18H17N2.2Ir/c1-6-75(79-23-20-26-88(63-79)121-108-39-18-12-33-96(108)97-65-81(44-50-110(97)121)83-46-52-111-99(67-83)100-70-90(49-53-112(100)123-111)122-105-36-15-9-30-93(105)94-31-10-16-37-106(94)122)61-86(76-40-42-77(43-41-76)116-117-56-57-118(116)115-73(4)58-71(2)59-74(115)5)60-72(3)78-22-19-25-87(62-78)120-107-38-17-11-32-95(107)98-66-82(45-51-109(98)120)85-48-55-114-102(69-85)101-68-84(47-54-113(101)124-114)80-24-21-27-89(64-80)119-103-34-13-7-28-91(103)92-29-8-14-35-104(92)119;1-6-51(52-23-25-53(26-24-52)78-79-35-36-80(78)77-49(4)37-47(2)38-50(77)5)39-48(3)56-40-57(54-27-31-73-65(43-54)67-45-59(29-33-75(67)83-73)81-69-19-11-7-15-61(69)62-16-8-12-20-70(62)81)42-58(41-56)55-28-32-74-66(44-55)68-46-60(30-34-76(68)84-74)82-71-21-13-9-17-63(71)64-18-10-14-22-72(64)82;3*1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;;/h7-42,44-59,62-70,72,75,86H,6,60-61H2,1-5H3;7-25,27-38,40-46,48,51H,6,39H2,1-5H3;3*4-7,9-12H,1-3H3;;/q5*-1;;+3
InChIKeyLMQSICZBDLEGOA-UHFFFAOYSA-N
XLogP65.85
TPSA158.10 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds34
Heavy Atoms270
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003863.90
LogP ≤ 565.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[5-[3-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-9-yl]phenyl]-1-ethyl-3-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexyl]phenyl]carbazole;9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)-5-[4-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]dibenzofuran-2-yl]carbazole;iridium;iridium(3+);tris(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[5-[3-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-9-yl]phenyl]-1-ethyl-3-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexyl]phenyl]carbazole;9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)-5-[4-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]dibenzofuran-2-yl]carbazole;iridium;iridium(3+);tris(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)?
The IUPAC name of 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[5-[3-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-9-yl]phenyl]-1-ethyl-3-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexyl]phenyl]carbazole;9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)-5-[4-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]dibenzofuran-2-yl]carbazole;iridium;iridium(3+);tris(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole) (CID 157152816) is 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[5-[3-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-9-yl]phenyl]-1-ethyl-3-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexyl]phenyl]carbazole;9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)-5-[4-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]dibenzofuran-2-yl]carbazole;iridium;iridium(3+);tris(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole).
What is the SMILES notation for 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[5-[3-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-9-yl]phenyl]-1-ethyl-3-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexyl]phenyl]carbazole;9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)-5-[4-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]dibenzofuran-2-yl]carbazole;iridium;iridium(3+);tris(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)?
The canonical SMILES for 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[5-[3-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-9-yl]phenyl]-1-ethyl-3-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexyl]phenyl]carbazole;9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)-5-[4-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]dibenzofuran-2-yl]carbazole;iridium;iridium(3+);tris(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole) is CCC(CC(C)c1cc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)c1)c1c[c-]c(-c2nccn2-c2c(C)cc(C)cc2C)cc1.CCC(CC(CC(C)c1cccc(-n2c3ccccc3c3cc(-c4ccc5sc6ccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)cc6c5c4)ccc32)c1)c1c[c-]c(-c2nccn2-c2c(C)cc(C)cc2C)cc1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.[Ir+3].[Ir].
What is the InChIKey of 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[5-[3-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-9-yl]phenyl]-1-ethyl-3-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexyl]phenyl]carbazole;9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)-5-[4-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]dibenzofuran-2-yl]carbazole;iridium;iridium(3+);tris(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)?
The InChIKey is LMQSICZBDLEGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H85N6OS.C78H59N4O2.3C18H17N2.2Ir/c1-6-75(79-23-20-26-88(63-79)121-108-39-18-12-33-96(108)97-65-81(44-50-110(97)121)83-46-52-111-99(67-83)100-70-90(49-53-112(100)123-111)122-105-36-15-9-30-93(105)94-31-10-16-37-106(94)122)61-86(76-40-42-77(43-41-76)116-117-56-57-118(116)115-73(4)58-71(2)59-74(115)5)60-72(3)78-22-19-25-87(62-78)120-107-38-17-11-32-95(107)98-66-82(45-51-109(98)120)85-48-55-114-102(69-85)101-68-84(47-54-113(101)124-114)80-24-21-27-89(64-80)119-103-34-13-7-28-91(103)92-29-8-14-35-104(92)119;1-6-51(52-23-25-53(26-24-52)78-79-35-36-80(78)77-49(4)37-47(2)38-50(77)5)39-48(3)56-40-57(54-27-31-73-65(43-54)67-45-59(29-33-75(67)83-73)81-69-19-11-7-15-61(69)62-16-8-12-20-70(62)81)42-58(41-56)55-28-32-74-66(44-55)68-46-60(30-34-76(68)84-74)82-71-21-13-9-17-63(71)64-18-10-14-22-72(64)82;3*1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;;/h7-42,44-59,62-70,72,75,86H,6,60-61H2,1-5H3;7-25,27-38,40-46,48,51H,6,39H2,1-5H3;3*4-7,9-12H,1-3H3;;/q5*-1;;+3.
What are the key properties of 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[5-[3-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-9-yl]phenyl]-1-ethyl-3-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexyl]phenyl]carbazole;9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)-5-[4-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]dibenzofuran-2-yl]carbazole;iridium;iridium(3+);tris(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)?
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[5-[3-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-9-yl]phenyl]-1-ethyl-3-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexyl]phenyl]carbazole;9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)-5-[4-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]dibenzofuran-2-yl]carbazole;iridium;iridium(3+);tris(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole) has a molecular weight of 3863.90 g/mol, XLogP of 65.85, 34 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[5-[3-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-9-yl]phenyl]-1-ethyl-3-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexyl]phenyl]carbazole;9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)-5-[4-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]dibenzofuran-2-yl]carbazole;iridium;iridium(3+);tris(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole) is sourced from PubChem (CID 157152816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).