7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide

C131H125Ir5N10-5 — CID 157438193

IUPAC7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILESCC(C)(C)c1c[c-]c2c(c1)c1cc(C(C)(C)C)ccc1n1ccnc21.CC(C)(C)c1ccc(-c2cc(C(C)(C)C)cc3c4ccc[c-]c4c4nccn4c23)cc1.CC(C)c1cc(C(C)C)c(-c2ccc3c(c2)c2ccc[c-]c2c2nccn32)c(C(C)C)c1.Cc1cc2c3ccc[c-]c3c3ncc(-c4c(C)cccc4C)n3c2cc1C.Cc1ccc2c(c1)c1ccc[c-]c1c1ncc(-c3c(C)cccc3C)n21.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C30H31N2.C29H29N2.C25H21N2.C24H19N2.C23H25N2.5Ir/c1-18(2)22-16-25(19(3)4)29(26(17-22)20(5)6)21-11-12-28-27(15-21)23-9-7-8-10-24(23)30-31-13-14-32(28)30;1-28(2,3)20-13-11-19(12-14-20)24-17-21(29(4,5)6)18-25-22-9-7-8-10-23(22)27-30-15-16-31(27)26(24)25;1-15-8-7-9-16(2)24(15)23-14-26-25-20-11-6-5-10-19(20)21-12-17(3)18(4)13-22(21)27(23)25;1-15-11-12-21-20(13-15)18-9-4-5-10-19(18)24-25-14-22(26(21)24)23-16(2)7-6-8-17(23)3;1-22(2,3)15-7-9-17-18(13-15)19-14-16(23(4,5)6)8-10-20(19)25-12-11-24-21(17)25;;;;;/h7-9,11-20H,1-6H3;7-9,11-18H,1-6H3;5-10,12-14H,1-4H3;4-9,11-14H,1-3H3;7-8,10-14H,1-6H3;;;;;/q5*-1;;;;;
InChIKeyCLVTZKYZRLQVSZ-UHFFFAOYSA-N
MW2800.60 g/mol
LogP34.58
Rot. Bonds7

About 7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide

7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide (PubChem CID 157438193) has the molecular formula C131H125Ir5N10-5 and a molecular weight of 2800.60 g/mol. Its IUPAC name is 7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide.

Molecular Properties

Compound Name7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide
PubChem CID157438193
Molecular FormulaC131H125Ir5N10-5
Molecular Weight2800.60 g/mol
Exact Mass2802.83
IUPAC Name7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILESCC(C)(C)c1c[c-]c2c(c1)c1cc(C(C)(C)C)ccc1n1ccnc21.CC(C)(C)c1ccc(-c2cc(C(C)(C)C)cc3c4ccc[c-]c4c4nccn4c23)cc1.CC(C)c1cc(C(C)C)c(-c2ccc3c(c2)c2ccc[c-]c2c2nccn32)c(C(C)C)c1.Cc1cc2c3ccc[c-]c3c3ncc(-c4c(C)cccc4C)n3c2cc1C.Cc1ccc2c(c1)c1ccc[c-]c1c1ncc(-c3c(C)cccc3C)n21.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C30H31N2.C29H29N2.C25H21N2.C24H19N2.C23H25N2.5Ir/c1-18(2)22-16-25(19(3)4)29(26(17-22)20(5)6)21-11-12-28-27(15-21)23-9-7-8-10-24(23)30-31-13-14-32(28)30;1-28(2,3)20-13-11-19(12-14-20)24-17-21(29(4,5)6)18-25-22-9-7-8-10-23(22)27-30-15-16-31(27)26(24)25;1-15-8-7-9-16(2)24(15)23-14-26-25-20-11-6-5-10-19(20)21-12-17(3)18(4)13-22(21)27(23)25;1-15-11-12-21-20(13-15)18-9-4-5-10-19(18)24-25-14-22(26(21)24)23-16(2)7-6-8-17(23)3;1-22(2,3)15-7-9-17-18(13-15)19-14-16(23(4,5)6)8-10-20(19)25-12-11-24-21(17)25;;;;;/h7-9,11-20H,1-6H3;7-9,11-18H,1-6H3;5-10,12-14H,1-4H3;4-9,11-14H,1-3H3;7-8,10-14H,1-6H3;;;;;/q5*-1;;;;;
InChIKeyCLVTZKYZRLQVSZ-UHFFFAOYSA-N
XLogP34.58
TPSA86.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002800.60
LogP ≤ 534.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide with MolForge

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Related Compounds

7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-diphenylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium)
CID 160958358
7,10-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-methyl-5-(4-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 158846855
7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;carbanide;7-cyclohexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium(3+));7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 158123757
CID 158903542
CID 158903542
carbanide;iridium;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium
CID 58162854
6,7-bis(2,2-dimethylpropyl)-3-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;carbanide;3-(2,6-dimethylphenyl)-6,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6,7-dimethyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;tetrakis(iridium);tetrakis(yttrium)
CID 157352487
carbanide;3-(2,6-diphenyl-4-propan-2-ylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium
CID 58162748
CID 157359145
CID 157359145
7-(2,2-dimethylpropyl)-3-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 58162565
iridium;7-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58943914
CID 158332744
CID 158332744
bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58163088

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide?
The IUPAC name of 7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide (CID 157438193) is 7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide.
What is the SMILES notation for 7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide?
The canonical SMILES for 7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide is CC(C)(C)c1c[c-]c2c(c1)c1cc(C(C)(C)C)ccc1n1ccnc21.CC(C)(C)c1ccc(-c2cc(C(C)(C)C)cc3c4ccc[c-]c4c4nccn4c23)cc1.CC(C)c1cc(C(C)C)c(-c2ccc3c(c2)c2ccc[c-]c2c2nccn32)c(C(C)C)c1.Cc1cc2c3ccc[c-]c3c3ncc(-c4c(C)cccc4C)n3c2cc1C.Cc1ccc2c(c1)c1ccc[c-]c1c1ncc(-c3c(C)cccc3C)n21.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide?
The InChIKey is CLVTZKYZRLQVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N2.C29H29N2.C25H21N2.C24H19N2.C23H25N2.5Ir/c1-18(2)22-16-25(19(3)4)29(26(17-22)20(5)6)21-11-12-28-27(15-21)23-9-7-8-10-24(23)30-31-13-14-32(28)30;1-28(2,3)20-13-11-19(12-14-20)24-17-21(29(4,5)6)18-25-22-9-7-8-10-23(22)27-30-15-16-31(27)26(24)25;1-15-8-7-9-16(2)24(15)23-14-26-25-20-11-6-5-10-19(20)21-12-17(3)18(4)13-22(21)27(23)25;1-15-11-12-21-20(13-15)18-9-4-5-10-19(18)24-25-14-22(26(21)24)23-16(2)7-6-8-17(23)3;1-22(2,3)15-7-9-17-18(13-15)19-14-16(23(4,5)6)8-10-20(19)25-12-11-24-21(17)25;;;;;/h7-9,11-20H,1-6H3;7-9,11-18H,1-6H3;5-10,12-14H,1-4H3;4-9,11-14H,1-3H3;7-8,10-14H,1-6H3;;;;;/q5*-1;;;;;.
What are the key properties of 7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide?
7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide has a molecular weight of 2800.60 g/mol, XLogP of 34.58, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide is sourced from PubChem (CID 157438193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).