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)

C140H160Ir4N8Y4-8 — CID 157352487

IUPAC6,7-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)
SMILESCC(C)c1cc(C(C)C)c(-c2cnc3c4[c-]cccc4c4cc(CC(C)(C)C)c(CC(C)(C)C)cc4n23)c(C(C)C)c1.Cc1cc2c3ccc[c-]c3c3ncc(-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)n3c2cc1C.Cc1cccc(C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)(C)C)c(CC(C)(C)C)cc3n12.Cc1cccc(C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)(C)C)ccc3n12.[CH3-].[CH3-].[CH3-].[CH3-].[Ir].[Ir].[Ir].[Ir].[Y].[Y].[Y].[Y]
InChIInChI=1S/C40H51N2.C35H33N2.C33H37N2.C28H27N2.4CH3.4Ir.4Y/c1-24(2)27-17-32(25(3)4)37(33(18-27)26(5)6)36-23-41-38-31-16-14-13-15-30(31)34-19-28(21-39(7,8)9)29(22-40(10,11)12)20-35(34)42(36)38;1-21(2)29-18-26(25-12-8-7-9-13-25)19-30(22(3)4)34(29)33-20-36-35-28-15-11-10-14-27(28)31-16-23(5)24(6)17-32(31)37(33)35;1-21-12-11-13-22(2)30(21)29-20-34-31-26-15-10-9-14-25(26)27-16-23(18-32(3,4)5)24(19-33(6,7)8)17-28(27)35(29)31;1-18-9-8-10-19(2)26(18)25-17-29-27-22-12-7-6-11-21(22)23-15-20(16-28(3,4)5)13-14-24(23)30(25)27;;;;;;;;;;;;/h13-15,17-20,23-26H,21-22H2,1-12H3;7-14,16-22H,1-6H3;9-14,16-17,20H,18-19H2,1-8H3;6-11,13-15,17H,16H2,1-5H3;4*1H3;;;;;;;;/q8*-1;;;;;;;;
InChIKeyIDULQKZGELHNDT-UHFFFAOYSA-N
MW3079.37 g/mol
LogP39.29
Rot. Bonds15

About 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)

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) (PubChem CID 157352487) has the molecular formula C140H160Ir4N8Y4-8 and a molecular weight of 3079.37 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name6,7-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)
PubChem CID157352487
Molecular FormulaC140H160Ir4N8Y4-8
Molecular Weight3079.37 g/mol
Exact Mass3080.76
IUPAC Name6,7-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)
SMILESCC(C)c1cc(C(C)C)c(-c2cnc3c4[c-]cccc4c4cc(CC(C)(C)C)c(CC(C)(C)C)cc4n23)c(C(C)C)c1.Cc1cc2c3ccc[c-]c3c3ncc(-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)n3c2cc1C.Cc1cccc(C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)(C)C)c(CC(C)(C)C)cc3n12.Cc1cccc(C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)(C)C)ccc3n12.[CH3-].[CH3-].[CH3-].[CH3-].[Ir].[Ir].[Ir].[Ir].[Y].[Y].[Y].[Y]
InChIInChI=1S/C40H51N2.C35H33N2.C33H37N2.C28H27N2.4CH3.4Ir.4Y/c1-24(2)27-17-32(25(3)4)37(33(18-27)26(5)6)36-23-41-38-31-16-14-13-15-30(31)34-19-28(21-39(7,8)9)29(22-40(10,11)12)20-35(34)42(36)38;1-21(2)29-18-26(25-12-8-7-9-13-25)19-30(22(3)4)34(29)33-20-36-35-28-15-11-10-14-27(28)31-16-23(5)24(6)17-32(31)37(33)35;1-21-12-11-13-22(2)30(21)29-20-34-31-26-15-10-9-14-25(26)27-16-23(18-32(3,4)5)24(19-33(6,7)8)17-28(27)35(29)31;1-18-9-8-10-19(2)26(18)25-17-29-27-22-12-7-6-11-21(22)23-15-20(16-28(3,4)5)13-14-24(23)30(25)27;;;;;;;;;;;;/h13-15,17-20,23-26H,21-22H2,1-12H3;7-14,16-22H,1-6H3;9-14,16-17,20H,18-19H2,1-8H3;6-11,13-15,17H,16H2,1-5H3;4*1H3;;;;;;;;/q8*-1;;;;;;;;
InChIKeyIDULQKZGELHNDT-UHFFFAOYSA-N
XLogP39.29
TPSA69.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003079.37
LogP ≤ 539.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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) with MolForge

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Related Compounds

7-(2,2-dimethylpropyl)-3-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 58162565
carbanide;3-(2,6-diphenyl-4-propan-2-ylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium
CID 58162748
3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 160881462
magnesium;3-(2,6-dimethylphenyl)-6,7-bis(2-methylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;chloride
CID 58163278
CID 158332744
CID 158332744
1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;3-(2,6-dimethylphenyl)-6,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 58162877
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
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
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
carbanide;iridium;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium
CID 58162854
7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;10-fluoro-7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;N-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]acetamide;3-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);molecular hydrogen
CID 157394573
iridium;7-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58943914

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC(C)c1cc(C(C)C)c(-c2cnc3c4[c-]cccc4c4cc(CC(C)(C)C)c(CC(C)(C)C)cc4n23)c(C(C)C)c1.Cc1cc2c3ccc[c-]c3c3ncc(-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)n3c2cc1C.Cc1cccc(C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)(C)C)c(CC(C)(C)C)cc3n12.Cc1cccc(C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)(C)C)ccc3n12.[CH3-].[CH3-].[CH3-].[CH3-].[Ir].[Ir].[Ir].[Ir].[Y].[Y].[Y].[Y].
What is the InChIKey of 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)?
The InChIKey is IDULQKZGELHNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H51N2.C35H33N2.C33H37N2.C28H27N2.4CH3.4Ir.4Y/c1-24(2)27-17-32(25(3)4)37(33(18-27)26(5)6)36-23-41-38-31-16-14-13-15-30(31)34-19-28(21-39(7,8)9)29(22-40(10,11)12)20-35(34)42(36)38;1-21(2)29-18-26(25-12-8-7-9-13-25)19-30(22(3)4)34(29)33-20-36-35-28-15-11-10-14-27(28)31-16-23(5)24(6)17-32(31)37(33)35;1-21-12-11-13-22(2)30(21)29-20-34-31-26-15-10-9-14-25(26)27-16-23(18-32(3,4)5)24(19-33(6,7)8)17-28(27)35(29)31;1-18-9-8-10-19(2)26(18)25-17-29-27-22-12-7-6-11-21(22)23-15-20(16-28(3,4)5)13-14-24(23)30(25)27;;;;;;;;;;;;/h13-15,17-20,23-26H,21-22H2,1-12H3;7-14,16-22H,1-6H3;9-14,16-17,20H,18-19H2,1-8H3;6-11,13-15,17H,16H2,1-5H3;4*1H3;;;;;;;;/q8*-1;;;;;;;;.
What are the key properties of 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)?
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) has a molecular weight of 3079.37 g/mol, XLogP of 39.29, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 157352487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).