4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-6-(5-methylpyrazol-2-id-3-yl)-2-phenylpyrimidine;2-fluoro-5-[6-(5-methylpyrazol-2-id-3-yl)-2-pyridinyl]-4H-pyrimidin-4-ide;pentakis(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide;bis(1-[3-methyl-5-(3-propan-2-yl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-propan-2-yl-2H-imidazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)-2-phenylquinazoline

C170H178F2Ir5N41-25 — CID 162286650

IUPAC4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-6-(5-methylpyrazol-2-id-3-yl)-2-phenylpyrimidine;2-fluoro-5-[6-(5-methylpyrazol-2-id-3-yl)-2-pyridinyl]-4H-pyrimidin-4-ide;pentakis(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide;bis(1-[3-methyl-5-(3-propan-2-yl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-propan-2-yl-2H-imidazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)-2-phenylquinazoline
SMILESCN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)ccc2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)ccc2)[CH-]1.Cc1cc(-c2cc(C(C)(C)C)nc(-c3[c-]cc(C(C)(C)C)cc3)n2)[n-]n1.Cc1cc(-c2cc(C(C)(C)C)nc(-c3[c-]cc(F)cc3)n2)[n-]n1.Cc1cc(-c2cc(C(C)(C)C)nc(-c3[c-]cccc3)n2)[n-]n1.Cc1cc(-c2cccc(-c3[c-]nc(F)nc3)n2)[n-]n1.Cc1cc(-c2nc(-c3[c-]cccc3)nc3ccccc23)[n-]n1.Cc1cc(N2C=CN(C(C)C)[CH-]2)[c-]c(N2C=CN(C(C)C)[CH-]2)c1.Cc1cc(N2C=CN(C(C)C)[CH-]2)[c-]c(N2C=CN(C(C)C)[CH-]2)c1.Cc1cc(N2C=CN(C)[CH-]2)[c-]c(N2C=CN(C)[CH-]2)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C22H26N4.2C19H25N4.C18H17FN4.C18H12N4.C18H18N4.C15H17N4.2C14H15N4.C13H8FN5.5Ir/c1-14-12-18(26-25-14)17-13-19(22(5,6)7)24-20(23-17)15-8-10-16(11-9-15)21(2,3)4;2*1-15(2)20-6-8-22(13-20)18-10-17(5)11-19(12-18)23-9-7-21(14-23)16(3)4;1-11-9-15(23-22-11)14-10-16(18(2,3)4)21-17(20-14)12-5-7-13(19)8-6-12;1-12-11-16(22-21-12)17-14-9-5-6-10-15(14)19-18(20-17)13-7-3-2-4-8-13;1-12-10-15(22-21-12)14-11-16(18(2,3)4)20-17(19-14)13-8-6-5-7-9-13;1-13-8-14(18-6-4-16(2)11-18)10-15(9-13)19-7-5-17(3)12-19;2*1-15-6-8-17(11-15)13-4-3-5-14(10-13)18-9-7-16(2)12-18;1-8-5-12(19-18-8)11-4-2-3-10(17-11)9-6-15-13(14)16-7-9;;;;;/h8,10-13H,1-7H3;2*6-11,13-16H,1-5H3;5,7-10H,1-4H3;2-7,9-11H,1H3;5-8,10-11H,1-4H3;4-9,11-12H,1-3H3;2*3-9,11-12H,1-2H3;2-6H,1H3;;;;;/q-2;2*-3;3*-2;3*-3;-2;;;;;
InChIKeyMOLVEOFLAZHABE-UHFFFAOYSA-N
MW3794.66 g/mol
LogP32.26
Rot. Bonds24

About 4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-6-(5-methylpyrazol-2-id-3-yl)-2-phenylpyrimidine;2-fluoro-5-[6-(5-methylpyrazol-2-id-3-yl)-2-pyridinyl]-4H-pyrimidin-4-ide;pentakis(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide;bis(1-[3-methyl-5-(3-propan-2-yl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-propan-2-yl-2H-imidazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)-2-phenylquinazoline

4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-6-(5-methylpyrazol-2-id-3-yl)-2-phenylpyrimidine;2-fluoro-5-[6-(5-methylpyrazol-2-id-3-yl)-2-pyridinyl]-4H-pyrimidin-4-ide;pentakis(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide;bis(1-[3-methyl-5-(3-propan-2-yl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-propan-2-yl-2H-imidazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)-2-phenylquinazoline (PubChem CID 162286650) has the molecular formula C170H178F2Ir5N41-25 and a molecular weight of 3794.66 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-6-(5-methylpyrazol-2-id-3-yl)-2-phenylpyrimidine;2-fluoro-5-[6-(5-methylpyrazol-2-id-3-yl)-2-pyridinyl]-4H-pyrimidin-4-ide;pentakis(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide;bis(1-[3-methyl-5-(3-propan-2-yl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-propan-2-yl-2H-imidazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)-2-phenylquinazoline.

Molecular Properties

Compound Name4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-6-(5-methylpyrazol-2-id-3-yl)-2-phenylpyrimidine;2-fluoro-5-[6-(5-methylpyrazol-2-id-3-yl)-2-pyridinyl]-4H-pyrimidin-4-ide;pentakis(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide;bis(1-[3-methyl-5-(3-propan-2-yl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-propan-2-yl-2H-imidazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)-2-phenylquinazoline
PubChem CID162286650
Molecular FormulaC170H178F2Ir5N41-25
Molecular Weight3794.66 g/mol
Exact Mass3796.34
IUPAC Name4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-6-(5-methylpyrazol-2-id-3-yl)-2-phenylpyrimidine;2-fluoro-5-[6-(5-methylpyrazol-2-id-3-yl)-2-pyridinyl]-4H-pyrimidin-4-ide;pentakis(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide;bis(1-[3-methyl-5-(3-propan-2-yl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-propan-2-yl-2H-imidazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)-2-phenylquinazoline
SMILESCN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)ccc2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)ccc2)[CH-]1.Cc1cc(-c2cc(C(C)(C)C)nc(-c3[c-]cc(C(C)(C)C)cc3)n2)[n-]n1.Cc1cc(-c2cc(C(C)(C)C)nc(-c3[c-]cc(F)cc3)n2)[n-]n1.Cc1cc(-c2cc(C(C)(C)C)nc(-c3[c-]cccc3)n2)[n-]n1.Cc1cc(-c2cccc(-c3[c-]nc(F)nc3)n2)[n-]n1.Cc1cc(-c2nc(-c3[c-]cccc3)nc3ccccc23)[n-]n1.Cc1cc(N2C=CN(C(C)C)[CH-]2)[c-]c(N2C=CN(C(C)C)[CH-]2)c1.Cc1cc(N2C=CN(C(C)C)[CH-]2)[c-]c(N2C=CN(C(C)C)[CH-]2)c1.Cc1cc(N2C=CN(C)[CH-]2)[c-]c(N2C=CN(C)[CH-]2)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C22H26N4.2C19H25N4.C18H17FN4.C18H12N4.C18H18N4.C15H17N4.2C14H15N4.C13H8FN5.5Ir/c1-14-12-18(26-25-14)17-13-19(22(5,6)7)24-20(23-17)15-8-10-16(11-9-15)21(2,3)4;2*1-15(2)20-6-8-22(13-20)18-10-17(5)11-19(12-18)23-9-7-21(14-23)16(3)4;1-11-9-15(23-22-11)14-10-16(18(2,3)4)21-17(20-14)12-5-7-13(19)8-6-12;1-12-11-16(22-21-12)17-14-9-5-6-10-15(14)19-18(20-17)13-7-3-2-4-8-13;1-12-10-15(22-21-12)14-11-16(18(2,3)4)20-17(19-14)13-8-6-5-7-9-13;1-13-8-14(18-6-4-16(2)11-18)10-15(9-13)19-7-5-17(3)12-19;2*1-15-6-8-17(11-15)13-4-3-5-14(10-13)18-9-7-16(2)12-18;1-8-5-12(19-18-8)11-4-2-3-10(17-11)9-6-15-13(14)16-7-9;;;;;/h8,10-13H,1-7H3;2*6-11,13-16H,1-5H3;5,7-10H,1-4H3;2-7,9-11H,1H3;5-8,10-11H,1-4H3;4-9,11-12H,1-3H3;2*3-9,11-12H,1-2H3;2-6H,1H3;;;;;/q-2;2*-3;3*-2;3*-3;-2;;;;;
InChIKeyMOLVEOFLAZHABE-UHFFFAOYSA-N
XLogP32.26
TPSA341.54 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds24
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003794.66
LogP ≤ 532.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-6-(5-methylpyrazol-2-id-3-yl)-2-phenylpyrimidine;2-fluoro-5-[6-(5-methylpyrazol-2-id-3-yl)-2-pyridinyl]-4H-pyrimidin-4-ide;pentakis(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide;bis(1-[3-methyl-5-(3-propan-2-yl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-propan-2-yl-2H-imidazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)-2-phenylquinazoline with MolForge

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Launch Full Analysis

Related Compounds

2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);3-phenyl-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline
CID 153425431
bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(2-(trifluoromethyl)-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4H-pyrimidin-4-ide)
CID 153425442
4-tert-butyl-6-(5-methylpyrazol-2-id-3-yl)-2-phenylpyrimidine;4-tert-butyl-6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-phenylpyrimidine;iridium(3+)
CID 158484644
tris(2-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-5-methyl-2,5-dihydropyrrol-1-ide);tris(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);hexakis(iridium(3+));methane;1-phenyl-3-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;bis(3-phenyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)
CID 162272306
2-[5-(4-tert-butyl-2-pyridinyl)-2,4-difluorobenzene-6-id-1-yl]-4-(2-methylpropyl)pyridine;iridium(3+);2-(4-methylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine
CID 160699435
diphenyl-(2-phenylquinolin-8-yl)phosphanium;1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide;osmium(4+)
CID 164705704
[6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;4-(4-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)quinoline;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylquinoline;phenyl-(6-phenyl-3-pyridinyl)methanone;bis(2-phenylquinoline)
CID 162057448
4-(4-tert-butylbenzene-6-id-1-yl)furo[3,2-c]pyridine;iridium;2-methyl-6-phenylpyridine
CID 140788907
CID 164795970
CID 164795970
1,3-di(phenyl)-2H-imidazol-2-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide
CID 168830637
3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-(2,4,6-trimethylphenyl)borane;iridium
CID 155645275
CID 164796179
CID 164796179

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-6-(5-methylpyrazol-2-id-3-yl)-2-phenylpyrimidine;2-fluoro-5-[6-(5-methylpyrazol-2-id-3-yl)-2-pyridinyl]-4H-pyrimidin-4-ide;pentakis(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide;bis(1-[3-methyl-5-(3-propan-2-yl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-propan-2-yl-2H-imidazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)-2-phenylquinazoline?
The IUPAC name of 4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-6-(5-methylpyrazol-2-id-3-yl)-2-phenylpyrimidine;2-fluoro-5-[6-(5-methylpyrazol-2-id-3-yl)-2-pyridinyl]-4H-pyrimidin-4-ide;pentakis(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide;bis(1-[3-methyl-5-(3-propan-2-yl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-propan-2-yl-2H-imidazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)-2-phenylquinazoline (CID 162286650) is 4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-6-(5-methylpyrazol-2-id-3-yl)-2-phenylpyrimidine;2-fluoro-5-[6-(5-methylpyrazol-2-id-3-yl)-2-pyridinyl]-4H-pyrimidin-4-ide;pentakis(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide;bis(1-[3-methyl-5-(3-propan-2-yl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-propan-2-yl-2H-imidazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)-2-phenylquinazoline.
What is the SMILES notation for 4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-6-(5-methylpyrazol-2-id-3-yl)-2-phenylpyrimidine;2-fluoro-5-[6-(5-methylpyrazol-2-id-3-yl)-2-pyridinyl]-4H-pyrimidin-4-ide;pentakis(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide;bis(1-[3-methyl-5-(3-propan-2-yl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-propan-2-yl-2H-imidazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)-2-phenylquinazoline?
The canonical SMILES for 4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-6-(5-methylpyrazol-2-id-3-yl)-2-phenylpyrimidine;2-fluoro-5-[6-(5-methylpyrazol-2-id-3-yl)-2-pyridinyl]-4H-pyrimidin-4-ide;pentakis(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide;bis(1-[3-methyl-5-(3-propan-2-yl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-propan-2-yl-2H-imidazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)-2-phenylquinazoline is CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)ccc2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)ccc2)[CH-]1.Cc1cc(-c2cc(C(C)(C)C)nc(-c3[c-]cc(C(C)(C)C)cc3)n2)[n-]n1.Cc1cc(-c2cc(C(C)(C)C)nc(-c3[c-]cc(F)cc3)n2)[n-]n1.Cc1cc(-c2cc(C(C)(C)C)nc(-c3[c-]cccc3)n2)[n-]n1.Cc1cc(-c2cccc(-c3[c-]nc(F)nc3)n2)[n-]n1.Cc1cc(-c2nc(-c3[c-]cccc3)nc3ccccc23)[n-]n1.Cc1cc(N2C=CN(C(C)C)[CH-]2)[c-]c(N2C=CN(C(C)C)[CH-]2)c1.Cc1cc(N2C=CN(C(C)C)[CH-]2)[c-]c(N2C=CN(C(C)C)[CH-]2)c1.Cc1cc(N2C=CN(C)[CH-]2)[c-]c(N2C=CN(C)[CH-]2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-6-(5-methylpyrazol-2-id-3-yl)-2-phenylpyrimidine;2-fluoro-5-[6-(5-methylpyrazol-2-id-3-yl)-2-pyridinyl]-4H-pyrimidin-4-ide;pentakis(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide;bis(1-[3-methyl-5-(3-propan-2-yl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-propan-2-yl-2H-imidazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)-2-phenylquinazoline?
The InChIKey is MOLVEOFLAZHABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4.2C19H25N4.C18H17FN4.C18H12N4.C18H18N4.C15H17N4.2C14H15N4.C13H8FN5.5Ir/c1-14-12-18(26-25-14)17-13-19(22(5,6)7)24-20(23-17)15-8-10-16(11-9-15)21(2,3)4;2*1-15(2)20-6-8-22(13-20)18-10-17(5)11-19(12-18)23-9-7-21(14-23)16(3)4;1-11-9-15(23-22-11)14-10-16(18(2,3)4)21-17(20-14)12-5-7-13(19)8-6-12;1-12-11-16(22-21-12)17-14-9-5-6-10-15(14)19-18(20-17)13-7-3-2-4-8-13;1-12-10-15(22-21-12)14-11-16(18(2,3)4)20-17(19-14)13-8-6-5-7-9-13;1-13-8-14(18-6-4-16(2)11-18)10-15(9-13)19-7-5-17(3)12-19;2*1-15-6-8-17(11-15)13-4-3-5-14(10-13)18-9-7-16(2)12-18;1-8-5-12(19-18-8)11-4-2-3-10(17-11)9-6-15-13(14)16-7-9;;;;;/h8,10-13H,1-7H3;2*6-11,13-16H,1-5H3;5,7-10H,1-4H3;2-7,9-11H,1H3;5-8,10-11H,1-4H3;4-9,11-12H,1-3H3;2*3-9,11-12H,1-2H3;2-6H,1H3;;;;;/q-2;2*-3;3*-2;3*-3;-2;;;;;.
What are the key properties of 4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-6-(5-methylpyrazol-2-id-3-yl)-2-phenylpyrimidine;2-fluoro-5-[6-(5-methylpyrazol-2-id-3-yl)-2-pyridinyl]-4H-pyrimidin-4-ide;pentakis(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide;bis(1-[3-methyl-5-(3-propan-2-yl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-propan-2-yl-2H-imidazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)-2-phenylquinazoline?
4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-6-(5-methylpyrazol-2-id-3-yl)-2-phenylpyrimidine;2-fluoro-5-[6-(5-methylpyrazol-2-id-3-yl)-2-pyridinyl]-4H-pyrimidin-4-ide;pentakis(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide;bis(1-[3-methyl-5-(3-propan-2-yl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-propan-2-yl-2H-imidazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)-2-phenylquinazoline has a molecular weight of 3794.66 g/mol, XLogP of 32.26, 24 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-6-(5-methylpyrazol-2-id-3-yl)-2-phenylpyrimidine;2-fluoro-5-[6-(5-methylpyrazol-2-id-3-yl)-2-pyridinyl]-4H-pyrimidin-4-ide;pentakis(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide;bis(1-[3-methyl-5-(3-propan-2-yl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-propan-2-yl-2H-imidazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)-2-phenylquinazoline is sourced from PubChem (CID 162286650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).