8-[2-butan-2-yloxy-6-[2-[4-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]methoxymethyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium(3+);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole

C105H86IrN9O3 — CID 58099607

IUPAC8-[2-butan-2-yloxy-6-[2-[4-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]methoxymethyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium(3+);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
SMILESCCC(C)Oc1cc(-c2ccc3c(c2)c2cnccc2n3-c2ccccc2)c2oc3c(-c4ccccc4-n4c5ccccc5c5c(COCc6c[c-]c(-c7nccn7-c7c(C)cccc7C)cc6)cccc54)cccc3c2c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.[Ir+3]
InChIInChI=1S/C70H54N5O3.C18H17N2.C17H15N2.Ir/c1-5-46(4)77-52-39-57(49-32-33-63-58(38-49)60-41-71-35-34-64(60)74(63)51-19-7-6-8-20-51)69-59(40-52)55-24-15-23-54(68(55)78-69)53-21-9-11-25-61(53)75-62-26-12-10-22-56(62)66-50(18-14-27-65(66)75)43-76-42-47-28-30-48(31-29-47)70-72-36-37-73(70)67-44(2)16-13-17-45(67)3;1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;/h6-30,32-41,46H,5,42-43H2,1-4H3;4-7,9-12H,1-3H3;3-9,11-12H,1-2H3;/q3*-1;+3
InChIKeyGPZULOUUIUHJGO-UHFFFAOYSA-N
MW1714.12 g/mol
LogP25.89
Rot. Bonds17

About 8-[2-butan-2-yloxy-6-[2-[4-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]methoxymethyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium(3+);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole

8-[2-butan-2-yloxy-6-[2-[4-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]methoxymethyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium(3+);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole (PubChem CID 58099607) has the molecular formula C105H86IrN9O3 and a molecular weight of 1714.12 g/mol. Its IUPAC name is 8-[2-butan-2-yloxy-6-[2-[4-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]methoxymethyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium(3+);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole.

Molecular Properties

Compound Name8-[2-butan-2-yloxy-6-[2-[4-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]methoxymethyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium(3+);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
PubChem CID58099607
Molecular FormulaC105H86IrN9O3
Molecular Weight1714.12 g/mol
Exact Mass1713.65
IUPAC Name8-[2-butan-2-yloxy-6-[2-[4-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]methoxymethyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium(3+);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
SMILESCCC(C)Oc1cc(-c2ccc3c(c2)c2cnccc2n3-c2ccccc2)c2oc3c(-c4ccccc4-n4c5ccccc5c5c(COCc6c[c-]c(-c7nccn7-c7c(C)cccc7C)cc6)cccc54)cccc3c2c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.[Ir+3]
InChIInChI=1S/C70H54N5O3.C18H17N2.C17H15N2.Ir/c1-5-46(4)77-52-39-57(49-32-33-63-58(38-49)60-41-71-35-34-64(60)74(63)51-19-7-6-8-20-51)69-59(40-52)55-24-15-23-54(68(55)78-69)53-21-9-11-25-61(53)75-62-26-12-10-22-56(62)66-50(18-14-27-65(66)75)43-76-42-47-28-30-48(31-29-47)70-72-36-37-73(70)67-44(2)16-13-17-45(67)3;1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;/h6-30,32-41,46H,5,42-43H2,1-4H3;4-7,9-12H,1-3H3;3-9,11-12H,1-2H3;/q3*-1;+3
InChIKeyGPZULOUUIUHJGO-UHFFFAOYSA-N
XLogP25.89
TPSA107.81 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001714.12
LogP ≤ 525.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 8-[2-butan-2-yloxy-6-[2-[4-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]methoxymethyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium(3+);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole with MolForge

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Related Compounds

1-(2,6-diphenylphenyl)-2-[5-(4-fluorophenyl)-9H-naphtho[2,1-b][1]benzofuran-9-id-8-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)germane)
CID 157463071
2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;pentakis(iridium);2-phenylpyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 158170112
7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;9-[3-carbazol-9-yl-5-(2-methylbutyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(2-methylbutyl)phenyl]phenyl]carbazole;1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;iridium
CID 158921819
iridium;1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[2-phenyl-8-(trifluoromethyl)-4H-[1]benzofuro[5,4-b][1]benzofuran-4-id-5-yl]benzimidazole;2-phenylpyridine
CID 171426273
iridium;2-[1-methyl-2-phenyl-8-(trifluoromethyl)-4H-[1]benzofuro[5,4-b][1]benzofuran-4-id-5-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine
CID 171426347
[8'-Fluoro-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]spiro[24,34-dioxa-4-aza-15-azonianonacyclo[18.14.0.02,17.03,15.05,14.06,11.021,33.023,31.025,30]tetratriaconta-1(20),2(17),3(15),5(14),6,8,10,12,18,21(33),22,25,27,29,31-pentadecaene-16,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane
CID 176817479
2-[[7-[1-(2-Tert-butyl-4-phenylphenyl)imidazol-2-yl]-12-[4-(1,2,2-trifluoroethenyl)phenyl]-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 171051624
17-Tert-butyl-5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-21,21-difluoro-7-(9-pyridin-2-ylcarbazol-2-yl)oxy-3-oxa-16,18-diaza-1-azoniahexacyclo[16.2.1.02,10.04,9.012,20.015,19]henicosa-1(20),2(10),4(9),5,7,11,13,15(19),16-nonaene
CID 172202689
bis(2-(3H-dibenzofuran-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole);2-(2,9-dihydrofluoren-2-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole;iridium(3+)
CID 57648548
9-[8-[3,6-Bis[2-(1-phenylimidazol-2-yl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]-3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazole
CID 57958260
8-(2-Pyrimidin-2-ylphenyl)-5-[8-[8-(2-pyrimidin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole
CID 57958302
Iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole);3-(8-propoxydibenzofuran-2-yl)-9-[3-[3-[8-[2-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]ethyl]dibenzofuran-2-yl]carbazol-9-yl]phenyl]carbazole
CID 57958320

Frequently Asked Questions

What is the IUPAC name of 8-[2-butan-2-yloxy-6-[2-[4-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]methoxymethyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium(3+);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?
The IUPAC name of 8-[2-butan-2-yloxy-6-[2-[4-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]methoxymethyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium(3+);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole (CID 58099607) is 8-[2-butan-2-yloxy-6-[2-[4-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]methoxymethyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium(3+);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole.
What is the SMILES notation for 8-[2-butan-2-yloxy-6-[2-[4-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]methoxymethyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium(3+);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?
The canonical SMILES for 8-[2-butan-2-yloxy-6-[2-[4-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]methoxymethyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium(3+);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole is CCC(C)Oc1cc(-c2ccc3c(c2)c2cnccc2n3-c2ccccc2)c2oc3c(-c4ccccc4-n4c5ccccc5c5c(COCc6c[c-]c(-c7nccn7-c7c(C)cccc7C)cc6)cccc54)cccc3c2c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.[Ir+3].
What is the InChIKey of 8-[2-butan-2-yloxy-6-[2-[4-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]methoxymethyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium(3+);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?
The InChIKey is GPZULOUUIUHJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H54N5O3.C18H17N2.C17H15N2.Ir/c1-5-46(4)77-52-39-57(49-32-33-63-58(38-49)60-41-71-35-34-64(60)74(63)51-19-7-6-8-20-51)69-59(40-52)55-24-15-23-54(68(55)78-69)53-21-9-11-25-61(53)75-62-26-12-10-22-56(62)66-50(18-14-27-65(66)75)43-76-42-47-28-30-48(31-29-47)70-72-36-37-73(70)67-44(2)16-13-17-45(67)3;1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;/h6-30,32-41,46H,5,42-43H2,1-4H3;4-7,9-12H,1-3H3;3-9,11-12H,1-2H3;/q3*-1;+3.
What are the key properties of 8-[2-butan-2-yloxy-6-[2-[4-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]methoxymethyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium(3+);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?
8-[2-butan-2-yloxy-6-[2-[4-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]methoxymethyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium(3+);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole has a molecular weight of 1714.12 g/mol, XLogP of 25.89, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-butan-2-yloxy-6-[2-[4-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]methoxymethyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium(3+);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole is sourced from PubChem (CID 58099607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).