4-[4-[3-[7-[9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-5-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]octan-3-yl]carbazol-9-yl]phenyl]-N,N-diphenylaniline;iridium(3+);5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole

C153H123IrN10O2 — CID 59196701

IUPAC4-[4-[3-[7-[9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-5-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]octan-3-yl]carbazol-9-yl]phenyl]-N,N-diphenylaniline;iridium(3+);5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
SMILESCCC(CC(CC(C)c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-c4cccc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)c4)cc3c2c1)c1c[c-]c(-c2nccn2-c2c(C)cc(C)cc2C)cc1)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.Cc1cc(C)c(-n2c(C)cnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.[Ir+3]
InChIInChI=1S/C116H87N6O2.C19H19N2.C18H17N2.Ir/c1-6-77(85-45-55-109-100(68-85)98-31-15-19-34-107(98)120(109)92-50-42-79(43-51-92)78-40-48-91(49-41-78)119(89-24-9-7-10-25-89)90-26-11-8-12-27-90)65-88(80-36-38-81(39-37-80)116-117-60-61-118(116)115-75(4)62-73(2)63-76(115)5)64-74(3)82-44-54-110-99(67-82)97-30-16-20-35-108(97)122(110)94-53-59-114-104(72-94)102-70-87(47-57-112(102)124-114)84-23-21-22-83(66-84)86-46-56-111-101(69-86)103-71-93(52-58-113(103)123-111)121-105-32-17-13-28-95(105)96-29-14-18-33-106(96)121;1-13-10-14(2)18(15(3)11-13)21-16(4)12-20-19(21)17-8-6-5-7-9-17;1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;/h7-38,40-63,66-72,74,77,88H,6,64-65H2,1-5H3;5-8,10-12H,1-4H3;4-7,9-12H,1-3H3;/q3*-1;+3
InChIKeySLUWYQNUMVWLIO-UHFFFAOYSA-N
MW2325.95 g/mol
LogP40.52
Rot. Bonds23

About 4-[4-[3-[7-[9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-5-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]octan-3-yl]carbazol-9-yl]phenyl]-N,N-diphenylaniline;iridium(3+);5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole

4-[4-[3-[7-[9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-5-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]octan-3-yl]carbazol-9-yl]phenyl]-N,N-diphenylaniline;iridium(3+);5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole (PubChem CID 59196701) has the molecular formula C153H123IrN10O2 and a molecular weight of 2325.95 g/mol. Its IUPAC name is 4-[4-[3-[7-[9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-5-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]octan-3-yl]carbazol-9-yl]phenyl]-N,N-diphenylaniline;iridium(3+);5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole.

Molecular Properties

Compound Name4-[4-[3-[7-[9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-5-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]octan-3-yl]carbazol-9-yl]phenyl]-N,N-diphenylaniline;iridium(3+);5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
PubChem CID59196701
Molecular FormulaC153H123IrN10O2
Molecular Weight2325.95 g/mol
Exact Mass2324.95
IUPAC Name4-[4-[3-[7-[9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-5-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]octan-3-yl]carbazol-9-yl]phenyl]-N,N-diphenylaniline;iridium(3+);5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
SMILESCCC(CC(CC(C)c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-c4cccc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)c4)cc3c2c1)c1c[c-]c(-c2nccn2-c2c(C)cc(C)cc2C)cc1)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.Cc1cc(C)c(-n2c(C)cnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.[Ir+3]
InChIInChI=1S/C116H87N6O2.C19H19N2.C18H17N2.Ir/c1-6-77(85-45-55-109-100(68-85)98-31-15-19-34-107(98)120(109)92-50-42-79(43-51-92)78-40-48-91(49-41-78)119(89-24-9-7-10-25-89)90-26-11-8-12-27-90)65-88(80-36-38-81(39-37-80)116-117-60-61-118(116)115-75(4)62-73(2)63-76(115)5)64-74(3)82-44-54-110-99(67-82)97-30-16-20-35-108(97)122(110)94-53-59-114-104(72-94)102-70-87(47-57-112(102)124-114)84-23-21-22-83(66-84)86-46-56-111-101(69-86)103-71-93(52-58-113(103)123-111)121-105-32-17-13-28-95(105)96-29-14-18-33-106(96)121;1-13-10-14(2)18(15(3)11-13)21-16(4)12-20-19(21)17-8-6-5-7-9-17;1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;/h7-38,40-63,66-72,74,77,88H,6,64-65H2,1-5H3;5-8,10-12H,1-4H3;4-7,9-12H,1-3H3;/q3*-1;+3
InChIKeySLUWYQNUMVWLIO-UHFFFAOYSA-N
XLogP40.52
TPSA97.77 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002325.95
LogP ≤ 540.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-[4-[3-[7-[9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-5-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]octan-3-yl]carbazol-9-yl]phenyl]-N,N-diphenylaniline;iridium(3+);5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[7-[9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-5-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]octan-3-yl]carbazol-9-yl]phenyl]-N,N-diphenylaniline;iridium(3+);5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?
The IUPAC name of 4-[4-[3-[7-[9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-5-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]octan-3-yl]carbazol-9-yl]phenyl]-N,N-diphenylaniline;iridium(3+);5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole (CID 59196701) is 4-[4-[3-[7-[9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-5-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]octan-3-yl]carbazol-9-yl]phenyl]-N,N-diphenylaniline;iridium(3+);5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole.
What is the SMILES notation for 4-[4-[3-[7-[9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-5-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]octan-3-yl]carbazol-9-yl]phenyl]-N,N-diphenylaniline;iridium(3+);5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?
The canonical SMILES for 4-[4-[3-[7-[9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-5-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]octan-3-yl]carbazol-9-yl]phenyl]-N,N-diphenylaniline;iridium(3+);5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole is CCC(CC(CC(C)c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-c4cccc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)c4)cc3c2c1)c1c[c-]c(-c2nccn2-c2c(C)cc(C)cc2C)cc1)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.Cc1cc(C)c(-n2c(C)cnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.[Ir+3].
What is the InChIKey of 4-[4-[3-[7-[9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-5-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]octan-3-yl]carbazol-9-yl]phenyl]-N,N-diphenylaniline;iridium(3+);5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?
The InChIKey is SLUWYQNUMVWLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H87N6O2.C19H19N2.C18H17N2.Ir/c1-6-77(85-45-55-109-100(68-85)98-31-15-19-34-107(98)120(109)92-50-42-79(43-51-92)78-40-48-91(49-41-78)119(89-24-9-7-10-25-89)90-26-11-8-12-27-90)65-88(80-36-38-81(39-37-80)116-117-60-61-118(116)115-75(4)62-73(2)63-76(115)5)64-74(3)82-44-54-110-99(67-82)97-30-16-20-35-108(97)122(110)94-53-59-114-104(72-94)102-70-87(47-57-112(102)124-114)84-23-21-22-83(66-84)86-46-56-111-101(69-86)103-71-93(52-58-113(103)123-111)121-105-32-17-13-28-95(105)96-29-14-18-33-106(96)121;1-13-10-14(2)18(15(3)11-13)21-16(4)12-20-19(21)17-8-6-5-7-9-17;1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;/h7-38,40-63,66-72,74,77,88H,6,64-65H2,1-5H3;5-8,10-12H,1-4H3;4-7,9-12H,1-3H3;/q3*-1;+3.
What are the key properties of 4-[4-[3-[7-[9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-5-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]octan-3-yl]carbazol-9-yl]phenyl]-N,N-diphenylaniline;iridium(3+);5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?
4-[4-[3-[7-[9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-5-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]octan-3-yl]carbazol-9-yl]phenyl]-N,N-diphenylaniline;iridium(3+);5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole has a molecular weight of 2325.95 g/mol, XLogP of 40.52, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[7-[9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-5-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]octan-3-yl]carbazol-9-yl]phenyl]-N,N-diphenylaniline;iridium(3+);5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole is sourced from PubChem (CID 59196701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).