2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-4-methylquinazoline;4-(2,6-dimethylphenyl)-2-(3-pentylbenzene-6-id-1-yl)-6-phenylquinazoline;bis(2-(2,6-dimethyl-3H-pyridin-3-id-4-yl)-4-methylquinazoline);2-(4-hexylbenzene-6-id-1-yl)-4-methylquinazoline;2-(3-hexylbenzene-6-id-1-yl)-4-phenylpyridine;bis(4-hydroxypent-3-en-2-one);heptakis(iridium);4-methyl-2-[2-methyl-6-(2-pentan-3-ylphenyl)-3H-pyridin-3-id-4-yl]quinazoline;4-methyl-2-(2H-quinolin-2-id-3-yl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(5-phenylpentyl)phenyl]benzene-6-id-1-yl]quinoline

C254H240F3Ir7N21O4S-10 — CID 158458029

IUPAC2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-4-methylquinazoline;4-(2,6-dimethylphenyl)-2-(3-pentylbenzene-6-id-1-yl)-6-phenylquinazoline;bis(2-(2,6-dimethyl-3H-pyridin-3-id-4-yl)-4-methylquinazoline);2-(4-hexylbenzene-6-id-1-yl)-4-methylquinazoline;2-(3-hexylbenzene-6-id-1-yl)-4-phenylpyridine;bis(4-hydroxypent-3-en-2-one);heptakis(iridium);4-methyl-2-[2-methyl-6-(2-pentan-3-ylphenyl)-3H-pyridin-3-id-4-yl]quinazoline;4-methyl-2-(2H-quinolin-2-id-3-yl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(5-phenylpentyl)phenyl]benzene-6-id-1-yl]quinoline
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CCC(CC)c1ccccc1-c1cc(-c2nc(C)c3ccccc3n2)[c-]c(C)n1.CCCCCCc1c[c-]c(-c2nc(C)c3ccccc3n2)cc1.CCCCCCc1cc[c-]c(-c2cc(-c3ccccc3)ccn2)c1.CCCCCc1cc[c-]c(-c2nc(-c3c(C)cccc3C)c3cc(-c4ccccc4)ccc3n2)c1.Cc1[c-]c(-c2nc(C)c3ccccc3n2)cc(C)n1.Cc1[c-]c(-c2nc(C)c3ccccc3n2)cc(C)n1.Cc1nc(-c2[c-]cc(C(F)(F)F)c(-c3ccccc3C3CCCCC3)c2)nc2ccccc12.Cc1nc(-c2[c-]nc3ccccc3c2)nc2ccccc12.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(CCCCCCc3ccccc3)c2)cc1-c1nc2ccccc2s1.[c-]1ccc(-c2cccc(CCCCCc3ccccc3)c2)cc1-c1ccc2ccccc2n1
InChIInChI=1S/C33H31N2.C32H28N.C31H28NS.C28H24F3N2.C26H26N3.C23H24N.C21H23N2.C18H12N3.2C16H14N3.2C5H8O2.7Ir/c1-4-5-7-14-25-15-11-18-28(21-25)33-34-30-20-19-27(26-16-8-6-9-17-26)22-29(30)32(35-33)31-23(2)12-10-13-24(31)3;1-3-11-25(12-4-1)13-5-2-6-14-26-15-9-17-28(23-26)29-18-10-19-30(24-29)32-22-21-27-16-7-8-20-31(27)33-32;1(4-12-24-13-6-3-7-14-24)2-5-15-25-16-10-17-26(22-25)27-18-11-19-28(23-27)31-32-29-20-8-9-21-30(29)33-31;1-18-21-11-7-8-14-26(21)33-27(32-18)20-15-16-25(28(29,30)31)24(17-20)23-13-6-5-12-22(23)19-9-3-2-4-10-19;1-5-19(6-2)22-12-7-8-13-23(22)25-16-20(15-17(3)27-25)26-28-18(4)21-11-9-10-14-24(21)29-26;1-2-3-4-6-10-19-11-9-14-22(17-19)23-18-21(15-16-24-23)20-12-7-5-8-13-20;1-3-4-5-6-9-17-12-14-18(15-13-17)21-22-16(2)19-10-7-8-11-20(19)23-21;1-12-15-7-3-5-9-17(15)21-18(20-12)14-10-13-6-2-4-8-16(13)19-11-14;2*1-10-8-13(9-11(2)17-10)16-18-12(3)14-6-4-5-7-15(14)19-16;2*1-4(6)3-5(2)7;;;;;;;/h6,8-13,15-17,19-22H,4-5,7,14H2,1-3H3;1,3-4,7-12,15-18,20-24H,2,5-6,13-14H2;3,6-11,13-14,16-18,20-23H,1-2,4-5,12,15H2;5-8,11-14,16-17,19H,2-4,9-10H2,1H3;7-14,16,19H,5-6H2,1-4H3;5,7-9,11-13,15-18H,2-4,6,10H2,1H3;7-8,10-14H,3-6,9H2,1-2H3;2-10H,1H3;2*4-8H,1-3H3;2*3,6H,1-2H3;;;;;;;/q10*-1;;;;;;;;;
InChIKeyXLDKFFHIVQQHHU-UHFFFAOYSA-N
MW5085.44 g/mol
LogP65.41
Rot. Bonds50

About 2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-4-methylquinazoline;4-(2,6-dimethylphenyl)-2-(3-pentylbenzene-6-id-1-yl)-6-phenylquinazoline;bis(2-(2,6-dimethyl-3H-pyridin-3-id-4-yl)-4-methylquinazoline);2-(4-hexylbenzene-6-id-1-yl)-4-methylquinazoline;2-(3-hexylbenzene-6-id-1-yl)-4-phenylpyridine;bis(4-hydroxypent-3-en-2-one);heptakis(iridium);4-methyl-2-[2-methyl-6-(2-pentan-3-ylphenyl)-3H-pyridin-3-id-4-yl]quinazoline;4-methyl-2-(2H-quinolin-2-id-3-yl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(5-phenylpentyl)phenyl]benzene-6-id-1-yl]quinoline

2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-4-methylquinazoline;4-(2,6-dimethylphenyl)-2-(3-pentylbenzene-6-id-1-yl)-6-phenylquinazoline;bis(2-(2,6-dimethyl-3H-pyridin-3-id-4-yl)-4-methylquinazoline);2-(4-hexylbenzene-6-id-1-yl)-4-methylquinazoline;2-(3-hexylbenzene-6-id-1-yl)-4-phenylpyridine;bis(4-hydroxypent-3-en-2-one);heptakis(iridium);4-methyl-2-[2-methyl-6-(2-pentan-3-ylphenyl)-3H-pyridin-3-id-4-yl]quinazoline;4-methyl-2-(2H-quinolin-2-id-3-yl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(5-phenylpentyl)phenyl]benzene-6-id-1-yl]quinoline (PubChem CID 158458029) has the molecular formula C254H240F3Ir7N21O4S-10 and a molecular weight of 5085.44 g/mol. Its IUPAC name is 2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-4-methylquinazoline;4-(2,6-dimethylphenyl)-2-(3-pentylbenzene-6-id-1-yl)-6-phenylquinazoline;bis(2-(2,6-dimethyl-3H-pyridin-3-id-4-yl)-4-methylquinazoline);2-(4-hexylbenzene-6-id-1-yl)-4-methylquinazoline;2-(3-hexylbenzene-6-id-1-yl)-4-phenylpyridine;bis(4-hydroxypent-3-en-2-one);heptakis(iridium);4-methyl-2-[2-methyl-6-(2-pentan-3-ylphenyl)-3H-pyridin-3-id-4-yl]quinazoline;4-methyl-2-(2H-quinolin-2-id-3-yl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(5-phenylpentyl)phenyl]benzene-6-id-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-4-methylquinazoline;4-(2,6-dimethylphenyl)-2-(3-pentylbenzene-6-id-1-yl)-6-phenylquinazoline;bis(2-(2,6-dimethyl-3H-pyridin-3-id-4-yl)-4-methylquinazoline);2-(4-hexylbenzene-6-id-1-yl)-4-methylquinazoline;2-(3-hexylbenzene-6-id-1-yl)-4-phenylpyridine;bis(4-hydroxypent-3-en-2-one);heptakis(iridium);4-methyl-2-[2-methyl-6-(2-pentan-3-ylphenyl)-3H-pyridin-3-id-4-yl]quinazoline;4-methyl-2-(2H-quinolin-2-id-3-yl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(5-phenylpentyl)phenyl]benzene-6-id-1-yl]quinoline
PubChem CID158458029
Molecular FormulaC254H240F3Ir7N21O4S-10
Molecular Weight5085.44 g/mol
Exact Mass5087.64
IUPAC Name2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-4-methylquinazoline;4-(2,6-dimethylphenyl)-2-(3-pentylbenzene-6-id-1-yl)-6-phenylquinazoline;bis(2-(2,6-dimethyl-3H-pyridin-3-id-4-yl)-4-methylquinazoline);2-(4-hexylbenzene-6-id-1-yl)-4-methylquinazoline;2-(3-hexylbenzene-6-id-1-yl)-4-phenylpyridine;bis(4-hydroxypent-3-en-2-one);heptakis(iridium);4-methyl-2-[2-methyl-6-(2-pentan-3-ylphenyl)-3H-pyridin-3-id-4-yl]quinazoline;4-methyl-2-(2H-quinolin-2-id-3-yl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(5-phenylpentyl)phenyl]benzene-6-id-1-yl]quinoline
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CCC(CC)c1ccccc1-c1cc(-c2nc(C)c3ccccc3n2)[c-]c(C)n1.CCCCCCc1c[c-]c(-c2nc(C)c3ccccc3n2)cc1.CCCCCCc1cc[c-]c(-c2cc(-c3ccccc3)ccn2)c1.CCCCCc1cc[c-]c(-c2nc(-c3c(C)cccc3C)c3cc(-c4ccccc4)ccc3n2)c1.Cc1[c-]c(-c2nc(C)c3ccccc3n2)cc(C)n1.Cc1[c-]c(-c2nc(C)c3ccccc3n2)cc(C)n1.Cc1nc(-c2[c-]cc(C(F)(F)F)c(-c3ccccc3C3CCCCC3)c2)nc2ccccc12.Cc1nc(-c2[c-]nc3ccccc3c2)nc2ccccc12.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(CCCCCCc3ccccc3)c2)cc1-c1nc2ccccc2s1.[c-]1ccc(-c2cccc(CCCCCc3ccccc3)c2)cc1-c1ccc2ccccc2n1
InChIInChI=1S/C33H31N2.C32H28N.C31H28NS.C28H24F3N2.C26H26N3.C23H24N.C21H23N2.C18H12N3.2C16H14N3.2C5H8O2.7Ir/c1-4-5-7-14-25-15-11-18-28(21-25)33-34-30-20-19-27(26-16-8-6-9-17-26)22-29(30)32(35-33)31-23(2)12-10-13-24(31)3;1-3-11-25(12-4-1)13-5-2-6-14-26-15-9-17-28(23-26)29-18-10-19-30(24-29)32-22-21-27-16-7-8-20-31(27)33-32;1(4-12-24-13-6-3-7-14-24)2-5-15-25-16-10-17-26(22-25)27-18-11-19-28(23-27)31-32-29-20-8-9-21-30(29)33-31;1-18-21-11-7-8-14-26(21)33-27(32-18)20-15-16-25(28(29,30)31)24(17-20)23-13-6-5-12-22(23)19-9-3-2-4-10-19;1-5-19(6-2)22-12-7-8-13-23(22)25-16-20(15-17(3)27-25)26-28-18(4)21-11-9-10-14-24(21)29-26;1-2-3-4-6-10-19-11-9-14-22(17-19)23-18-21(15-16-24-23)20-12-7-5-8-13-20;1-3-4-5-6-9-17-12-14-18(15-13-17)21-22-16(2)19-10-7-8-11-20(19)23-21;1-12-15-7-3-5-9-17(15)21-18(20-12)14-10-13-6-2-4-8-16(13)19-11-14;2*1-10-8-13(9-11(2)17-10)16-18-12(3)14-6-4-5-7-15(14)19-16;2*1-4(6)3-5(2)7;;;;;;;/h6,8-13,15-17,19-22H,4-5,7,14H2,1-3H3;1,3-4,7-12,15-18,20-24H,2,5-6,13-14H2;3,6-11,13-14,16-18,20-23H,1-2,4-5,12,15H2;5-8,11-14,16-17,19H,2-4,9-10H2,1H3;7-14,16,19H,5-6H2,1-4H3;5,7-9,11-13,15-18H,2-4,6,10H2,1H3;7-8,10-14H,3-6,9H2,1-2H3;2-10H,1H3;2*4-8H,1-3H3;2*3,6H,1-2H3;;;;;;;/q10*-1;;;;;;;;;
InChIKeyXLDKFFHIVQQHHU-UHFFFAOYSA-N
XLogP65.41
TPSA345.29 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds50
Heavy Atoms290
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005085.44
LogP ≤ 565.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze 2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-4-methylquinazoline;4-(2,6-dimethylphenyl)-2-(3-pentylbenzene-6-id-1-yl)-6-phenylquinazoline;bis(2-(2,6-dimethyl-3H-pyridin-3-id-4-yl)-4-methylquinazoline);2-(4-hexylbenzene-6-id-1-yl)-4-methylquinazoline;2-(3-hexylbenzene-6-id-1-yl)-4-phenylpyridine;bis(4-hydroxypent-3-en-2-one);heptakis(iridium);4-methyl-2-[2-methyl-6-(2-pentan-3-ylphenyl)-3H-pyridin-3-id-4-yl]quinazoline;4-methyl-2-(2H-quinolin-2-id-3-yl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(5-phenylpentyl)phenyl]benzene-6-id-1-yl]quinoline with MolForge

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Related Compounds

5-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[2,3-c]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
CID 157181845
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2,6-difluorophenyl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2-fluoro-6-methylphenyl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2-(trifluoromethyl)phenyl]pyrimidine;2-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-1,3-benzothiazole;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane
CID 157199857
2-(4-anthracen-9-yl-2H-naphthalen-2-id-1-yl)pyridine;1-(3H-1-benzothiophen-3-id-2-yl)-4-naphthalen-1-ylisoquinoline;tetrakis(4-hydroxypent-3-en-2-one);2-(3-methyl-4-naphthalen-1-ylbenzene-6-id-1-yl)pyridine;2-methyl-6-[2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;bis(2-(4-naphthalen-1-yl-2H-naphthalen-2-id-1-yl)-1-phenylimidazole);platinum;bis(platinum(2+));9-[10-(4-pyridin-2-ylbenzene-5-id-1-yl)anthracen-9-yl]carbazole;2-[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine
CID 157709218
carbanide;2-(5,7-dimethyl-1H-naphthalen-1-id-2-yl)pyridine;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]-3,5-dimethylbenzene-6-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;bis(6-phenyl-3-phenylbenzo[f]quinazoline);3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline
CID 158026365
[(2Z)-5-(3,5-dimethylbenzene-6-id-1-yl)hexa-2,4-dienylidene]azanide;1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;2-[3,5-di(propan-2-yl)benzene-6-id-1-yl]pyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);iridium(3+);2-[7-(2-methylpropyl)-3H-naphthalen-3-id-2-yl]pyridine;1-phenylisoquinoline;bis(6-phenyl-3-phenylbenzo[f]quinazoline);bis(4-phenyl-2-phenylbenzo[h]quinazoline);[phenyl-[1-(1-phenylethylideneamino)naphthalen-2-yl]methylidene]azanide;3-phenyl-6-[4-(trifluoromethyl)phenyl]benzo[f]quinazoline
CID 158060240
2-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;2-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
CID 158248464
2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4,4-dimethylcyclohexyl)-5,7-dimethylquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-propylthieno[3,2-d]pyrimidine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,5,7-trimethylquinoline;tetrakis(iridium);bis(1,1,1-trifluoro-5-hydroxy-2,2,6-trimethylhept-4-en-3-one);bis(7,7,7-trifluoro-5-hydroxy-2,6,6-trimethylhept-4-en-3-one)
CID 158410159
6-Hydroxy-2,8-dimethylnon-5-en-4-one;tris(iridium);8-methyl-2-phenylbenzo[h]quinazoline;4-phenyl-2-phenylpyridine;2-phenyl-7-propan-2-ylbenzo[h]quinazoline;2-phenylpyridine;3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline
CID 158788503
2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4,4-dimethylcyclohexyl)-5,7-dimethylquinoline;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-(3,3,3-trifluoropropyl)thieno[3,2-d]pyrimidine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,5,7-trimethylquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;tetrakis(5-hydroxy-2,2,7-trimethyloct-4-en-3-one);tetrakis(iridium)
CID 158879048
1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;[2-[(E)-2-phenylprop-1-enyl]phenyl]methylideneazanide;3-phenylpyrido[4,3-f]quinazoline;bis(2-phenylpyrido[3,4-h]quinazoline);3-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[4,3-f]quinazoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[3,4-h]quinazoline
CID 159324155
2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4,4-dimethylcyclohexyl)-5,7-dimethylquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2-methylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-(3,3,3-trifluoropropyl)thieno[3,2-d]pyrimidine;3,7-diethyl-6-hydroxy-3-(trifluoromethyl)non-5-en-4-one;1,1,1,6,6,6-hexafluoro-5-hydroxy-2,2-dimethylhex-4-en-3-one;tetrakis(iridium);1,1,1-trifluoro-5-hydroxy-2,2,7-trimethyloct-4-en-3-one;1,1,1-trifluoro-5-hydroxy-2,2,7-trimethyl-6-propan-2-yloct-4-en-3-one
CID 159433699
3,7-Bis(2,6-dimethylphenyl)-2,8-dimethyl-11-(trifluoromethyl)-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene;3,7-bis(2,6-dimethylphenyl)-2,8,11-trimethyl-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene;10,18-dimethyl-3,25-diaza-10,18,27-triazoniaheptacyclo[14.10.1.03,11.04,9.012,27.017,25.019,24]heptacosa-4,6,8,10,12(27),13,15,17,19,21,23-undecaene;10,18-dithia-3,25,27-triazoniaheptacyclo[14.10.1.03,11.04,9.012,27.017,25.019,24]heptacosa-3(11),4,6,8,12(27),13,15,17(25),19,21,23-undecaene;3,19,21-triazoniapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaene;2,8,11-trimethyl-3,7-bis(2,4,6-trimethylphenyl)-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene
CID 159537615

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-4-methylquinazoline;4-(2,6-dimethylphenyl)-2-(3-pentylbenzene-6-id-1-yl)-6-phenylquinazoline;bis(2-(2,6-dimethyl-3H-pyridin-3-id-4-yl)-4-methylquinazoline);2-(4-hexylbenzene-6-id-1-yl)-4-methylquinazoline;2-(3-hexylbenzene-6-id-1-yl)-4-phenylpyridine;bis(4-hydroxypent-3-en-2-one);heptakis(iridium);4-methyl-2-[2-methyl-6-(2-pentan-3-ylphenyl)-3H-pyridin-3-id-4-yl]quinazoline;4-methyl-2-(2H-quinolin-2-id-3-yl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(5-phenylpentyl)phenyl]benzene-6-id-1-yl]quinoline?
The IUPAC name of 2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-4-methylquinazoline;4-(2,6-dimethylphenyl)-2-(3-pentylbenzene-6-id-1-yl)-6-phenylquinazoline;bis(2-(2,6-dimethyl-3H-pyridin-3-id-4-yl)-4-methylquinazoline);2-(4-hexylbenzene-6-id-1-yl)-4-methylquinazoline;2-(3-hexylbenzene-6-id-1-yl)-4-phenylpyridine;bis(4-hydroxypent-3-en-2-one);heptakis(iridium);4-methyl-2-[2-methyl-6-(2-pentan-3-ylphenyl)-3H-pyridin-3-id-4-yl]quinazoline;4-methyl-2-(2H-quinolin-2-id-3-yl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(5-phenylpentyl)phenyl]benzene-6-id-1-yl]quinoline (CID 158458029) is 2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-4-methylquinazoline;4-(2,6-dimethylphenyl)-2-(3-pentylbenzene-6-id-1-yl)-6-phenylquinazoline;bis(2-(2,6-dimethyl-3H-pyridin-3-id-4-yl)-4-methylquinazoline);2-(4-hexylbenzene-6-id-1-yl)-4-methylquinazoline;2-(3-hexylbenzene-6-id-1-yl)-4-phenylpyridine;bis(4-hydroxypent-3-en-2-one);heptakis(iridium);4-methyl-2-[2-methyl-6-(2-pentan-3-ylphenyl)-3H-pyridin-3-id-4-yl]quinazoline;4-methyl-2-(2H-quinolin-2-id-3-yl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(5-phenylpentyl)phenyl]benzene-6-id-1-yl]quinoline.
What is the SMILES notation for 2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-4-methylquinazoline;4-(2,6-dimethylphenyl)-2-(3-pentylbenzene-6-id-1-yl)-6-phenylquinazoline;bis(2-(2,6-dimethyl-3H-pyridin-3-id-4-yl)-4-methylquinazoline);2-(4-hexylbenzene-6-id-1-yl)-4-methylquinazoline;2-(3-hexylbenzene-6-id-1-yl)-4-phenylpyridine;bis(4-hydroxypent-3-en-2-one);heptakis(iridium);4-methyl-2-[2-methyl-6-(2-pentan-3-ylphenyl)-3H-pyridin-3-id-4-yl]quinazoline;4-methyl-2-(2H-quinolin-2-id-3-yl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(5-phenylpentyl)phenyl]benzene-6-id-1-yl]quinoline?
The canonical SMILES for 2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-4-methylquinazoline;4-(2,6-dimethylphenyl)-2-(3-pentylbenzene-6-id-1-yl)-6-phenylquinazoline;bis(2-(2,6-dimethyl-3H-pyridin-3-id-4-yl)-4-methylquinazoline);2-(4-hexylbenzene-6-id-1-yl)-4-methylquinazoline;2-(3-hexylbenzene-6-id-1-yl)-4-phenylpyridine;bis(4-hydroxypent-3-en-2-one);heptakis(iridium);4-methyl-2-[2-methyl-6-(2-pentan-3-ylphenyl)-3H-pyridin-3-id-4-yl]quinazoline;4-methyl-2-(2H-quinolin-2-id-3-yl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(5-phenylpentyl)phenyl]benzene-6-id-1-yl]quinoline is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CCC(CC)c1ccccc1-c1cc(-c2nc(C)c3ccccc3n2)[c-]c(C)n1.CCCCCCc1c[c-]c(-c2nc(C)c3ccccc3n2)cc1.CCCCCCc1cc[c-]c(-c2cc(-c3ccccc3)ccn2)c1.CCCCCc1cc[c-]c(-c2nc(-c3c(C)cccc3C)c3cc(-c4ccccc4)ccc3n2)c1.Cc1[c-]c(-c2nc(C)c3ccccc3n2)cc(C)n1.Cc1[c-]c(-c2nc(C)c3ccccc3n2)cc(C)n1.Cc1nc(-c2[c-]cc(C(F)(F)F)c(-c3ccccc3C3CCCCC3)c2)nc2ccccc12.Cc1nc(-c2[c-]nc3ccccc3c2)nc2ccccc12.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(CCCCCCc3ccccc3)c2)cc1-c1nc2ccccc2s1.[c-]1ccc(-c2cccc(CCCCCc3ccccc3)c2)cc1-c1ccc2ccccc2n1.
What is the InChIKey of 2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-4-methylquinazoline;4-(2,6-dimethylphenyl)-2-(3-pentylbenzene-6-id-1-yl)-6-phenylquinazoline;bis(2-(2,6-dimethyl-3H-pyridin-3-id-4-yl)-4-methylquinazoline);2-(4-hexylbenzene-6-id-1-yl)-4-methylquinazoline;2-(3-hexylbenzene-6-id-1-yl)-4-phenylpyridine;bis(4-hydroxypent-3-en-2-one);heptakis(iridium);4-methyl-2-[2-methyl-6-(2-pentan-3-ylphenyl)-3H-pyridin-3-id-4-yl]quinazoline;4-methyl-2-(2H-quinolin-2-id-3-yl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(5-phenylpentyl)phenyl]benzene-6-id-1-yl]quinoline?
The InChIKey is XLDKFFHIVQQHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N2.C32H28N.C31H28NS.C28H24F3N2.C26H26N3.C23H24N.C21H23N2.C18H12N3.2C16H14N3.2C5H8O2.7Ir/c1-4-5-7-14-25-15-11-18-28(21-25)33-34-30-20-19-27(26-16-8-6-9-17-26)22-29(30)32(35-33)31-23(2)12-10-13-24(31)3;1-3-11-25(12-4-1)13-5-2-6-14-26-15-9-17-28(23-26)29-18-10-19-30(24-29)32-22-21-27-16-7-8-20-31(27)33-32;1(4-12-24-13-6-3-7-14-24)2-5-15-25-16-10-17-26(22-25)27-18-11-19-28(23-27)31-32-29-20-8-9-21-30(29)33-31;1-18-21-11-7-8-14-26(21)33-27(32-18)20-15-16-25(28(29,30)31)24(17-20)23-13-6-5-12-22(23)19-9-3-2-4-10-19;1-5-19(6-2)22-12-7-8-13-23(22)25-16-20(15-17(3)27-25)26-28-18(4)21-11-9-10-14-24(21)29-26;1-2-3-4-6-10-19-11-9-14-22(17-19)23-18-21(15-16-24-23)20-12-7-5-8-13-20;1-3-4-5-6-9-17-12-14-18(15-13-17)21-22-16(2)19-10-7-8-11-20(19)23-21;1-12-15-7-3-5-9-17(15)21-18(20-12)14-10-13-6-2-4-8-16(13)19-11-14;2*1-10-8-13(9-11(2)17-10)16-18-12(3)14-6-4-5-7-15(14)19-16;2*1-4(6)3-5(2)7;;;;;;;/h6,8-13,15-17,19-22H,4-5,7,14H2,1-3H3;1,3-4,7-12,15-18,20-24H,2,5-6,13-14H2;3,6-11,13-14,16-18,20-23H,1-2,4-5,12,15H2;5-8,11-14,16-17,19H,2-4,9-10H2,1H3;7-14,16,19H,5-6H2,1-4H3;5,7-9,11-13,15-18H,2-4,6,10H2,1H3;7-8,10-14H,3-6,9H2,1-2H3;2-10H,1H3;2*4-8H,1-3H3;2*3,6H,1-2H3;;;;;;;/q10*-1;;;;;;;;;.
What are the key properties of 2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-4-methylquinazoline;4-(2,6-dimethylphenyl)-2-(3-pentylbenzene-6-id-1-yl)-6-phenylquinazoline;bis(2-(2,6-dimethyl-3H-pyridin-3-id-4-yl)-4-methylquinazoline);2-(4-hexylbenzene-6-id-1-yl)-4-methylquinazoline;2-(3-hexylbenzene-6-id-1-yl)-4-phenylpyridine;bis(4-hydroxypent-3-en-2-one);heptakis(iridium);4-methyl-2-[2-methyl-6-(2-pentan-3-ylphenyl)-3H-pyridin-3-id-4-yl]quinazoline;4-methyl-2-(2H-quinolin-2-id-3-yl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(5-phenylpentyl)phenyl]benzene-6-id-1-yl]quinoline?
2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-4-methylquinazoline;4-(2,6-dimethylphenyl)-2-(3-pentylbenzene-6-id-1-yl)-6-phenylquinazoline;bis(2-(2,6-dimethyl-3H-pyridin-3-id-4-yl)-4-methylquinazoline);2-(4-hexylbenzene-6-id-1-yl)-4-methylquinazoline;2-(3-hexylbenzene-6-id-1-yl)-4-phenylpyridine;bis(4-hydroxypent-3-en-2-one);heptakis(iridium);4-methyl-2-[2-methyl-6-(2-pentan-3-ylphenyl)-3H-pyridin-3-id-4-yl]quinazoline;4-methyl-2-(2H-quinolin-2-id-3-yl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(5-phenylpentyl)phenyl]benzene-6-id-1-yl]quinoline has a molecular weight of 5085.44 g/mol, XLogP of 65.41, 50 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-4-methylquinazoline;4-(2,6-dimethylphenyl)-2-(3-pentylbenzene-6-id-1-yl)-6-phenylquinazoline;bis(2-(2,6-dimethyl-3H-pyridin-3-id-4-yl)-4-methylquinazoline);2-(4-hexylbenzene-6-id-1-yl)-4-methylquinazoline;2-(3-hexylbenzene-6-id-1-yl)-4-phenylpyridine;bis(4-hydroxypent-3-en-2-one);heptakis(iridium);4-methyl-2-[2-methyl-6-(2-pentan-3-ylphenyl)-3H-pyridin-3-id-4-yl]quinazoline;4-methyl-2-(2H-quinolin-2-id-3-yl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(5-phenylpentyl)phenyl]benzene-6-id-1-yl]quinoline is sourced from PubChem (CID 158458029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).