5-(4-tert-butylphenyl)-7-hexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluorobenzene-6-id-1-yl)-1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]imidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);7-pentyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide

C148H153F4Ir5N10-5 — CID 157324806

IUPAC5-(4-tert-butylphenyl)-7-hexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluorobenzene-6-id-1-yl)-1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]imidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);7-pentyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILESCCCCCCc1cc(-c2ccc(C(C)(C)C)cc2)c2c(c1)c1ccc[c-]c1c1nccn12.CCCCCCc1ccc(-c2cc(C)c(-n3ccnc3-c3[c-]cc(C(F)(F)F)cc3)c(C)c2)cc1.CCCCCCc1ccc(-c2cc(C)c(-n3ccnc3-c3[c-]cc(F)cc3)c(C)c2)cc1.CCCCCCc1ccc(-c2cc(C)c(-n3ccnc3-c3[c-]cccc3)c(C)c2)cc1.CCCCCc1ccc2c(c1)c1ccc[c-]c1c1ncc(-c3c(C)cc(C)cc3C)n21.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C31H33N2.C30H30F3N2.C29H30FN2.C29H29N2.C29H31N2.5Ir/c1-5-6-7-8-11-22-20-27(23-14-16-24(17-15-23)31(2,3)4)29-28(21-22)25-12-9-10-13-26(25)30-32-18-19-33(29)30;1-4-5-6-7-8-23-9-11-24(12-10-23)26-19-21(2)28(22(3)20-26)35-18-17-34-29(35)25-13-15-27(16-14-25)30(31,32)33;1-4-5-6-7-8-23-9-11-24(12-10-23)26-19-21(2)28(22(3)20-26)32-18-17-31-29(32)25-13-15-27(30)16-14-25;1-5-6-7-10-22-13-14-26-25(17-22)23-11-8-9-12-24(23)29-30-18-27(31(26)29)28-20(3)15-19(2)16-21(28)4;1-4-5-6-8-11-24-14-16-25(17-15-24)27-20-22(2)28(23(3)21-27)31-19-18-30-29(31)26-12-9-7-10-13-26;;;;;/h9-10,12,14-21H,5-8,11H2,1-4H3;9-13,15-20H,4-8H2,1-3H3;9-13,15-20H,4-8H2,1-3H3;8-9,11,13-18H,5-7,10H2,1-4H3;7,9-10,12,14-21H,4-6,8,11H2,1-3H3;;;;;/q5*-1;;;;;
InChIKeyYGZDCULCPJXVMO-UHFFFAOYSA-N
MW3109.00 g/mol
LogP40.68
Rot. Bonds35

About 5-(4-tert-butylphenyl)-7-hexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluorobenzene-6-id-1-yl)-1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]imidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);7-pentyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide

5-(4-tert-butylphenyl)-7-hexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluorobenzene-6-id-1-yl)-1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]imidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);7-pentyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide (PubChem CID 157324806) has the molecular formula C148H153F4Ir5N10-5 and a molecular weight of 3109.00 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-7-hexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluorobenzene-6-id-1-yl)-1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]imidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);7-pentyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-7-hexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluorobenzene-6-id-1-yl)-1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]imidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);7-pentyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
PubChem CID157324806
Molecular FormulaC148H153F4Ir5N10-5
Molecular Weight3109.00 g/mol
Exact Mass3111.04
IUPAC Name5-(4-tert-butylphenyl)-7-hexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluorobenzene-6-id-1-yl)-1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]imidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);7-pentyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILESCCCCCCc1cc(-c2ccc(C(C)(C)C)cc2)c2c(c1)c1ccc[c-]c1c1nccn12.CCCCCCc1ccc(-c2cc(C)c(-n3ccnc3-c3[c-]cc(C(F)(F)F)cc3)c(C)c2)cc1.CCCCCCc1ccc(-c2cc(C)c(-n3ccnc3-c3[c-]cc(F)cc3)c(C)c2)cc1.CCCCCCc1ccc(-c2cc(C)c(-n3ccnc3-c3[c-]cccc3)c(C)c2)cc1.CCCCCc1ccc2c(c1)c1ccc[c-]c1c1ncc(-c3c(C)cc(C)cc3C)n21.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C31H33N2.C30H30F3N2.C29H30FN2.C29H29N2.C29H31N2.5Ir/c1-5-6-7-8-11-22-20-27(23-14-16-24(17-15-23)31(2,3)4)29-28(21-22)25-12-9-10-13-26(25)30-32-18-19-33(29)30;1-4-5-6-7-8-23-9-11-24(12-10-23)26-19-21(2)28(22(3)20-26)35-18-17-34-29(35)25-13-15-27(16-14-25)30(31,32)33;1-4-5-6-7-8-23-9-11-24(12-10-23)26-19-21(2)28(22(3)20-26)32-18-17-31-29(32)25-13-15-27(30)16-14-25;1-5-6-7-10-22-13-14-26-25(17-22)23-11-8-9-12-24(23)29-30-18-27(31(26)29)28-20(3)15-19(2)16-21(28)4;1-4-5-6-8-11-24-14-16-25(17-15-24)27-20-22(2)28(23(3)21-27)31-19-18-30-29(31)26-12-9-7-10-13-26;;;;;/h9-10,12,14-21H,5-8,11H2,1-4H3;9-13,15-20H,4-8H2,1-3H3;9-13,15-20H,4-8H2,1-3H3;8-9,11,13-18H,5-7,10H2,1-4H3;7,9-10,12,14-21H,4-6,8,11H2,1-3H3;;;;;/q5*-1;;;;;
InChIKeyYGZDCULCPJXVMO-UHFFFAOYSA-N
XLogP40.68
TPSA88.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds35
Heavy Atoms167
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003109.00
LogP ≤ 540.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-(4-tert-butylphenyl)-7-hexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluorobenzene-6-id-1-yl)-1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]imidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);7-pentyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide with MolForge

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Related Compounds

[Fe(TpCF3PP)(NO)(1-MeIm)]
CID 139115160
7,10-ditert-butyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57730134
1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-pyren-1-yl-2H-benzimidazol-3-ium-2-ide;1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-pyren-1-yl-2H-imidazol-3-ium-2-ide;iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738557
bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-diphenyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738663
bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-dimethyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738721
bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738726
CID 58163042
CID 58163042
CID 58163252
CID 58163252
iridium;2-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 59358824
3-Phenyl-2-[10-(3-phenylimidazo[4,5-b]pyridin-2-yl)-6,7,14,15-tetrakis(trifluoromethyl)tetraphenylen-2-yl]imidazo[4,5-b]pyridine
CID 59855600
N-(2,6-dimethyl-4-phenylphenyl)-6-fluoro-N-(6-fluoroimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-2-amine
CID 71181354
5-[4-[1,2-Diethyl-4-[4-(trifluoromethyl)-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl]cyclobutyl]-3-isoquinolin-1-ylcyclohexa-1,5-dien-1-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 123829626

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-7-hexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluorobenzene-6-id-1-yl)-1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]imidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);7-pentyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
The IUPAC name of 5-(4-tert-butylphenyl)-7-hexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluorobenzene-6-id-1-yl)-1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]imidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);7-pentyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide (CID 157324806) is 5-(4-tert-butylphenyl)-7-hexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluorobenzene-6-id-1-yl)-1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]imidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);7-pentyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide.
What is the SMILES notation for 5-(4-tert-butylphenyl)-7-hexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluorobenzene-6-id-1-yl)-1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]imidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);7-pentyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
The canonical SMILES for 5-(4-tert-butylphenyl)-7-hexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluorobenzene-6-id-1-yl)-1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]imidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);7-pentyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide is CCCCCCc1cc(-c2ccc(C(C)(C)C)cc2)c2c(c1)c1ccc[c-]c1c1nccn12.CCCCCCc1ccc(-c2cc(C)c(-n3ccnc3-c3[c-]cc(C(F)(F)F)cc3)c(C)c2)cc1.CCCCCCc1ccc(-c2cc(C)c(-n3ccnc3-c3[c-]cc(F)cc3)c(C)c2)cc1.CCCCCCc1ccc(-c2cc(C)c(-n3ccnc3-c3[c-]cccc3)c(C)c2)cc1.CCCCCc1ccc2c(c1)c1ccc[c-]c1c1ncc(-c3c(C)cc(C)cc3C)n21.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 5-(4-tert-butylphenyl)-7-hexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluorobenzene-6-id-1-yl)-1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]imidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);7-pentyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
The InChIKey is YGZDCULCPJXVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N2.C30H30F3N2.C29H30FN2.C29H29N2.C29H31N2.5Ir/c1-5-6-7-8-11-22-20-27(23-14-16-24(17-15-23)31(2,3)4)29-28(21-22)25-12-9-10-13-26(25)30-32-18-19-33(29)30;1-4-5-6-7-8-23-9-11-24(12-10-23)26-19-21(2)28(22(3)20-26)35-18-17-34-29(35)25-13-15-27(16-14-25)30(31,32)33;1-4-5-6-7-8-23-9-11-24(12-10-23)26-19-21(2)28(22(3)20-26)32-18-17-31-29(32)25-13-15-27(30)16-14-25;1-5-6-7-10-22-13-14-26-25(17-22)23-11-8-9-12-24(23)29-30-18-27(31(26)29)28-20(3)15-19(2)16-21(28)4;1-4-5-6-8-11-24-14-16-25(17-15-24)27-20-22(2)28(23(3)21-27)31-19-18-30-29(31)26-12-9-7-10-13-26;;;;;/h9-10,12,14-21H,5-8,11H2,1-4H3;9-13,15-20H,4-8H2,1-3H3;9-13,15-20H,4-8H2,1-3H3;8-9,11,13-18H,5-7,10H2,1-4H3;7,9-10,12,14-21H,4-6,8,11H2,1-3H3;;;;;/q5*-1;;;;;.
What are the key properties of 5-(4-tert-butylphenyl)-7-hexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluorobenzene-6-id-1-yl)-1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]imidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);7-pentyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
5-(4-tert-butylphenyl)-7-hexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluorobenzene-6-id-1-yl)-1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]imidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);7-pentyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide has a molecular weight of 3109.00 g/mol, XLogP of 40.68, 35 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-7-hexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluorobenzene-6-id-1-yl)-1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]imidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);7-pentyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide is sourced from PubChem (CID 157324806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).