2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline;4-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinazoline;2-[4-fluoro-3-[3-(4-phenylbutyl)phenyl]benzene-6-id-1-yl]quinazoline;2-(4-hexylbenzene-6-id-1-yl)quinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-8-methylquinazoline;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-pentylbenzene-6-id-1-yl)-6-phenyl-8-propan-2-ylquinazoline;2-(3-phenylbenzene-6-id-1-yl)-4-(6-phenylhexyl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazole;4-phenyl-2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]quinazoline

C287H262F4Ir8N18O3-10 — CID 160805991

IUPAC2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline;4-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinazoline;2-[4-fluoro-3-[3-(4-phenylbutyl)phenyl]benzene-6-id-1-yl]quinazoline;2-(4-hexylbenzene-6-id-1-yl)quinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-8-methylquinazoline;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-pentylbenzene-6-id-1-yl)-6-phenyl-8-propan-2-ylquinazoline;2-(3-phenylbenzene-6-id-1-yl)-4-(6-phenylhexyl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazole;4-phenyl-2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]quinazoline
SMILESCC(=O)C=C(C)O.CC(C)(c1ccccc1)c1cc[c-]c(-c2ncc3ccccc3n2)c1.CCCCCCc1c[c-]c(-c2ncc3ccccc3n2)cc1.CCCCCCc1cccc(-c2cc[c-]c(-c3ncc4cccc(C)c4n3)c2)c1.CCCCCc1cc[c-]c(-c2nc(C)c3cc(-c4ccccc4)cc(C(C)C)c3n2)c1.Cc1cccc(C)c1-c1nc(-c2[c-]ccc(-c3ccccc3)c2)nc2ccccc12.FC(F)(F)c1c[c-]c(-c2ncc3ccccc3n2)cc1-c1ccccc1C1CCCCC1.Fc1c[c-]c(-c2ncc3ccccc3n2)cc1-c1cccc(CCCCc2ccccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(CCCCCCc3ccccc3)c2)cc1-c1cc(-c2ccccc2)ccn1.[c-]1ccc(-c2cccc(CCCCCCc3ccccc3)c2)cc1-c1nc2ccccc2o1.[c-]1ccc(-c2ccccc2)cc1-c1nc(CCCCCCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C35H32N.C32H29N2.C31H28NO.C30H24FN2.C29H31N2.C28H21N2.C27H22F3N2.C27H27N2.C23H19N2.C20H21N2.C5H8O2.8Ir/c1(5-13-28-14-7-3-8-15-28)2-6-16-29-17-11-20-31(25-29)32-21-12-22-34(26-32)35-27-33(23-24-36-35)30-18-9-4-10-19-30;1(5-14-25-15-6-3-7-16-25)2-10-22-30-29-21-11-12-23-31(29)34-32(33-30)28-20-13-19-27(24-28)26-17-8-4-9-18-26;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;31-28-18-17-25(30-32-21-26-14-6-7-16-29(26)33-30)20-27(28)24-15-8-13-23(19-24)12-5-4-11-22-9-2-1-3-10-22;1-5-6-8-12-22-13-11-16-24(17-22)29-30-21(4)27-19-25(23-14-9-7-10-15-23)18-26(20(2)3)28(27)31-29;1-19-10-8-11-20(2)26(19)27-24-16-6-7-17-25(24)29-28(30-27)23-15-9-14-22(18-23)21-12-4-3-5-13-21;28-27(29,30)24-15-14-19(26-31-17-20-10-4-7-13-25(20)32-26)16-23(24)22-12-6-5-11-21(22)18-8-2-1-3-9-18;1-3-4-5-6-11-21-12-8-13-22(17-21)23-14-9-15-24(18-23)27-28-19-25-16-7-10-20(2)26(25)29-27;1-23(2,19-11-4-3-5-12-19)20-13-8-10-17(15-20)22-24-16-18-9-6-7-14-21(18)25-22;1-2-3-4-5-8-16-11-13-17(14-12-16)20-21-15-18-9-6-7-10-19(18)22-20;1-4(6)3-5(2)7;;;;;;;;/h3-4,7-12,14-15,17-21,23-27H,1-2,5-6,13,16H2;3-4,6-9,11-13,15-19,21,23-24H,1-2,5,10,14,22H2;3,6-11,13-14,16-18,20-23H,1-2,4-5,12,15H2;1-3,6-10,13-16,18-21H,4-5,11-12H2;7,9-11,13-15,17-20H,5-6,8,12H2,1-4H3;3-14,16-18H,1-2H3;4-7,10-13,15-18H,1-3,8-9H2;7-10,12-14,16-19H,3-6,11H2,1-2H3;3-9,11-16H,1-2H3;6-7,9-13,15H,2-5,8H2,1H3;3,6H,1-2H3;;;;;;;;/q10*-1;;;;;;;;;
InChIKeyGMWSXVDZPJOBKJ-UHFFFAOYSA-N
MW5625.10 g/mol
LogP74.78
Rot. Bonds65

About 2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline;4-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinazoline;2-[4-fluoro-3-[3-(4-phenylbutyl)phenyl]benzene-6-id-1-yl]quinazoline;2-(4-hexylbenzene-6-id-1-yl)quinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-8-methylquinazoline;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-pentylbenzene-6-id-1-yl)-6-phenyl-8-propan-2-ylquinazoline;2-(3-phenylbenzene-6-id-1-yl)-4-(6-phenylhexyl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazole;4-phenyl-2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]quinazoline

2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline;4-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinazoline;2-[4-fluoro-3-[3-(4-phenylbutyl)phenyl]benzene-6-id-1-yl]quinazoline;2-(4-hexylbenzene-6-id-1-yl)quinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-8-methylquinazoline;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-pentylbenzene-6-id-1-yl)-6-phenyl-8-propan-2-ylquinazoline;2-(3-phenylbenzene-6-id-1-yl)-4-(6-phenylhexyl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazole;4-phenyl-2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]quinazoline (PubChem CID 160805991) has the molecular formula C287H262F4Ir8N18O3-10 and a molecular weight of 5625.10 g/mol. Its IUPAC name is 2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline;4-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinazoline;2-[4-fluoro-3-[3-(4-phenylbutyl)phenyl]benzene-6-id-1-yl]quinazoline;2-(4-hexylbenzene-6-id-1-yl)quinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-8-methylquinazoline;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-pentylbenzene-6-id-1-yl)-6-phenyl-8-propan-2-ylquinazoline;2-(3-phenylbenzene-6-id-1-yl)-4-(6-phenylhexyl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazole;4-phenyl-2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]quinazoline.

Molecular Properties

Compound Name2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline;4-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinazoline;2-[4-fluoro-3-[3-(4-phenylbutyl)phenyl]benzene-6-id-1-yl]quinazoline;2-(4-hexylbenzene-6-id-1-yl)quinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-8-methylquinazoline;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-pentylbenzene-6-id-1-yl)-6-phenyl-8-propan-2-ylquinazoline;2-(3-phenylbenzene-6-id-1-yl)-4-(6-phenylhexyl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazole;4-phenyl-2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]quinazoline
PubChem CID160805991
Molecular FormulaC287H262F4Ir8N18O3-10
Molecular Weight5625.10 g/mol
Exact Mass5627.79
IUPAC Name2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline;4-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinazoline;2-[4-fluoro-3-[3-(4-phenylbutyl)phenyl]benzene-6-id-1-yl]quinazoline;2-(4-hexylbenzene-6-id-1-yl)quinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-8-methylquinazoline;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-pentylbenzene-6-id-1-yl)-6-phenyl-8-propan-2-ylquinazoline;2-(3-phenylbenzene-6-id-1-yl)-4-(6-phenylhexyl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazole;4-phenyl-2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]quinazoline
SMILESCC(=O)C=C(C)O.CC(C)(c1ccccc1)c1cc[c-]c(-c2ncc3ccccc3n2)c1.CCCCCCc1c[c-]c(-c2ncc3ccccc3n2)cc1.CCCCCCc1cccc(-c2cc[c-]c(-c3ncc4cccc(C)c4n3)c2)c1.CCCCCc1cc[c-]c(-c2nc(C)c3cc(-c4ccccc4)cc(C(C)C)c3n2)c1.Cc1cccc(C)c1-c1nc(-c2[c-]ccc(-c3ccccc3)c2)nc2ccccc12.FC(F)(F)c1c[c-]c(-c2ncc3ccccc3n2)cc1-c1ccccc1C1CCCCC1.Fc1c[c-]c(-c2ncc3ccccc3n2)cc1-c1cccc(CCCCc2ccccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(CCCCCCc3ccccc3)c2)cc1-c1cc(-c2ccccc2)ccn1.[c-]1ccc(-c2cccc(CCCCCCc3ccccc3)c2)cc1-c1nc2ccccc2o1.[c-]1ccc(-c2ccccc2)cc1-c1nc(CCCCCCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C35H32N.C32H29N2.C31H28NO.C30H24FN2.C29H31N2.C28H21N2.C27H22F3N2.C27H27N2.C23H19N2.C20H21N2.C5H8O2.8Ir/c1(5-13-28-14-7-3-8-15-28)2-6-16-29-17-11-20-31(25-29)32-21-12-22-34(26-32)35-27-33(23-24-36-35)30-18-9-4-10-19-30;1(5-14-25-15-6-3-7-16-25)2-10-22-30-29-21-11-12-23-31(29)34-32(33-30)28-20-13-19-27(24-28)26-17-8-4-9-18-26;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;31-28-18-17-25(30-32-21-26-14-6-7-16-29(26)33-30)20-27(28)24-15-8-13-23(19-24)12-5-4-11-22-9-2-1-3-10-22;1-5-6-8-12-22-13-11-16-24(17-22)29-30-21(4)27-19-25(23-14-9-7-10-15-23)18-26(20(2)3)28(27)31-29;1-19-10-8-11-20(2)26(19)27-24-16-6-7-17-25(24)29-28(30-27)23-15-9-14-22(18-23)21-12-4-3-5-13-21;28-27(29,30)24-15-14-19(26-31-17-20-10-4-7-13-25(20)32-26)16-23(24)22-12-6-5-11-21(22)18-8-2-1-3-9-18;1-3-4-5-6-11-21-12-8-13-22(17-21)23-14-9-15-24(18-23)27-28-19-25-16-7-10-20(2)26(25)29-27;1-23(2,19-11-4-3-5-12-19)20-13-8-10-17(15-20)22-24-16-18-9-6-7-14-21(18)25-22;1-2-3-4-5-8-16-11-13-17(14-12-16)20-21-15-18-9-6-7-10-19(18)22-20;1-4(6)3-5(2)7;;;;;;;;/h3-4,7-12,14-15,17-21,23-27H,1-2,5-6,13,16H2;3-4,6-9,11-13,15-19,21,23-24H,1-2,5,10,14,22H2;3,6-11,13-14,16-18,20-23H,1-2,4-5,12,15H2;1-3,6-10,13-16,18-21H,4-5,11-12H2;7,9-11,13-15,17-20H,5-6,8,12H2,1-4H3;3-14,16-18H,1-2H3;4-7,10-13,15-18H,1-3,8-9H2;7-10,12-14,16-19H,3-6,11H2,1-2H3;3-9,11-16H,1-2H3;6-7,9-13,15H,2-5,8H2,1H3;3,6H,1-2H3;;;;;;;;/q10*-1;;;;;;;;;
InChIKeyGMWSXVDZPJOBKJ-UHFFFAOYSA-N
XLogP74.78
TPSA282.46 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds65
Heavy Atoms320
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005625.10
LogP ≤ 574.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline;4-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinazoline;2-[4-fluoro-3-[3-(4-phenylbutyl)phenyl]benzene-6-id-1-yl]quinazoline;2-(4-hexylbenzene-6-id-1-yl)quinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-8-methylquinazoline;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-pentylbenzene-6-id-1-yl)-6-phenyl-8-propan-2-ylquinazoline;2-(3-phenylbenzene-6-id-1-yl)-4-(6-phenylhexyl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazole;4-phenyl-2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]quinazoline with MolForge

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Related Compounds

6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 156665421
4-[4-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[3-(5-methyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]pyrimidine;5-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[4-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]phenyl]-1,3-benzoxazole
CID 157544793
CID 159377111
CID 159377111
3-[4-(1,3-benzoxazol-2-yl)-6-(2-methylpyrimidin-5-yl)-1,3,5-triazin-2-yl]-5-isocyanobenzonitrile;(2Z)-2-[4-[(Z)-cyano-(2-methylpurin-8-ylidene)methyl]-6-[(E)-isocyano-(2-methylpurin-8-ylidene)methyl]-1,3,5-triazin-2-yl]-2-(5-methylimidazo[4,5-b]pyridin-2-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-methylpurin-8-ylidene)methyl]-6-[(E)-isocyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;2-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole
CID 160260088
2-[4-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-4,5,6-triphenylpyrimidine;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,5,6-triphenylpyrimidine;2-[3-(5-methyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]-4,5,6-triphenylpyrimidine;2-[4-[4-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)phenyl]phenyl]-1,3-benzoxazole
CID 160278759
6-[1-(4-tert-butyl-2-phenylphenyl)-5-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;8-[1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-fluoro-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane)
CID 160727104
7-(3,5-dimethylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;7-(3-fluoro-5-methylphenyl)-2-(5-fluoro-2-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;7-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;7-(3-methoxy-5-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;7-(3-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;7-(3-methylphenyl)-2-pyrimidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole
CID 161653756
benzo[h]quinoline;2-(4-tert-butylphenyl)pyridine;2,4-difluoro-6-phenylpyridine;N,1-diphenylmethanimine;(E)-N-methoxy-1-phenylethanimine;2-(4-methoxyphenyl)pyridine;N-methyl-N-[(E)-1-phenylethylideneamino]methanamine;2-(4-methylphenyl)pyridine;4-methyl-2-phenylpyridine;N-(2-methylpropyl)-1-phenylethanimine;2-(4-nitrophenyl)pyridine;2-phenyl-1,3-benzoxazole;2-phenyl-4,5-dihydro-1,3-oxazole;2-phenylpyrazine;2-phenylpyridine;2-phenylpyrimidine;(3-pyridin-2-ylphenyl)methanol;2-[4-(trifluoromethyl)phenyl]pyridine
CID 172966030
benzo[h]quinoline;2-(4-tert-butylphenyl)pyridine;carbanide;cyclopentane;2-cyclopentylpyridine;N,1-diphenylmethanimine;2-fluoro-4-methyl-6-phenylpyridine;iron(2+);(E)-N-methoxy-1-phenylethanimine;2-(4-methoxyphenyl)pyridine;N-methyl-N-[(E)-1-phenylethylideneamino]methanamine;2-(4-methylphenyl)pyridine;4-methyl-2-phenylpyridine;N-(2-methylpropyl)-1-phenylethanimine;2-(4-nitrophenyl)pyridine;2-phenyl-1,3-benzoxazole;2-phenyl-4,5-dihydro-1,3-oxazole;2-phenylpyrazine;2-phenylpyridine;2-phenylpyrimidine;(3-pyridin-2-ylphenyl)methanol;2-[4-(trifluoromethyl)phenyl]pyridine
CID 172973042
benzo[h]quinoline;2-(4-tert-butylphenyl)pyridine;carbanide;cyclopentane;2-cyclopentylpyridine;2,4-difluoro-6-phenylpyridine;N,1-diphenylmethanimine;iron;(E)-N-methoxy-1-phenylethanimine;2-(4-methoxyphenyl)pyridine;N-methyl-N-[(E)-1-phenylethylideneamino]methanamine;2-(4-methylphenyl)pyridine;4-methyl-2-phenylpyridine;N-(2-methylpropyl)-1-phenylethanimine;2-(4-nitrophenyl)pyridine;2-phenyl-1,3-benzoxazole;2-phenyl-4,5-dihydro-1,3-oxazole;2-phenylpyrazine;2-phenylpyridine;2-phenylpyrimidine;(3-pyridin-2-ylphenyl)methanol;2-[4-(trifluoromethyl)phenyl]pyridine
CID 172973043
benzo[h]quinoline;2-(4-tert-butylphenyl)pyridine;carbanide;cyclopentane;2-cyclopentylpyridine;2,4-difluoro-6-phenylpyridine;N,1-diphenylmethanimine;iron(2+);(E)-N-methoxy-1-phenylethanimine;2-(4-methoxyphenyl)pyridine;N-methyl-N-[(E)-1-phenylethylideneamino]methanamine;2-(4-methylphenyl)pyridine;4-methyl-2-phenylpyridine;N-(2-methylpropyl)-1-phenylethanimine;2-(4-nitrophenyl)pyridine;2-phenyl-1,3-benzoxazole;2-phenyl-4,5-dihydro-1,3-oxazole;2-phenylpyrazine;2-phenylpyridine;2-phenylpyrimidine;(3-pyridin-2-ylphenyl)methanol;2-[4-(trifluoromethyl)phenyl]pyridine
CID 172973044
2-[3,5-Bis[2,6-di(quinolin-3-yl)-4-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]pyridine
CID 71104969

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline;4-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinazoline;2-[4-fluoro-3-[3-(4-phenylbutyl)phenyl]benzene-6-id-1-yl]quinazoline;2-(4-hexylbenzene-6-id-1-yl)quinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-8-methylquinazoline;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-pentylbenzene-6-id-1-yl)-6-phenyl-8-propan-2-ylquinazoline;2-(3-phenylbenzene-6-id-1-yl)-4-(6-phenylhexyl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazole;4-phenyl-2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]quinazoline?
The IUPAC name of 2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline;4-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinazoline;2-[4-fluoro-3-[3-(4-phenylbutyl)phenyl]benzene-6-id-1-yl]quinazoline;2-(4-hexylbenzene-6-id-1-yl)quinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-8-methylquinazoline;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-pentylbenzene-6-id-1-yl)-6-phenyl-8-propan-2-ylquinazoline;2-(3-phenylbenzene-6-id-1-yl)-4-(6-phenylhexyl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazole;4-phenyl-2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]quinazoline (CID 160805991) is 2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline;4-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinazoline;2-[4-fluoro-3-[3-(4-phenylbutyl)phenyl]benzene-6-id-1-yl]quinazoline;2-(4-hexylbenzene-6-id-1-yl)quinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-8-methylquinazoline;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-pentylbenzene-6-id-1-yl)-6-phenyl-8-propan-2-ylquinazoline;2-(3-phenylbenzene-6-id-1-yl)-4-(6-phenylhexyl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazole;4-phenyl-2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]quinazoline.
What is the SMILES notation for 2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline;4-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinazoline;2-[4-fluoro-3-[3-(4-phenylbutyl)phenyl]benzene-6-id-1-yl]quinazoline;2-(4-hexylbenzene-6-id-1-yl)quinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-8-methylquinazoline;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-pentylbenzene-6-id-1-yl)-6-phenyl-8-propan-2-ylquinazoline;2-(3-phenylbenzene-6-id-1-yl)-4-(6-phenylhexyl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazole;4-phenyl-2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]quinazoline?
The canonical SMILES for 2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline;4-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinazoline;2-[4-fluoro-3-[3-(4-phenylbutyl)phenyl]benzene-6-id-1-yl]quinazoline;2-(4-hexylbenzene-6-id-1-yl)quinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-8-methylquinazoline;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-pentylbenzene-6-id-1-yl)-6-phenyl-8-propan-2-ylquinazoline;2-(3-phenylbenzene-6-id-1-yl)-4-(6-phenylhexyl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazole;4-phenyl-2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]quinazoline is CC(=O)C=C(C)O.CC(C)(c1ccccc1)c1cc[c-]c(-c2ncc3ccccc3n2)c1.CCCCCCc1c[c-]c(-c2ncc3ccccc3n2)cc1.CCCCCCc1cccc(-c2cc[c-]c(-c3ncc4cccc(C)c4n3)c2)c1.CCCCCc1cc[c-]c(-c2nc(C)c3cc(-c4ccccc4)cc(C(C)C)c3n2)c1.Cc1cccc(C)c1-c1nc(-c2[c-]ccc(-c3ccccc3)c2)nc2ccccc12.FC(F)(F)c1c[c-]c(-c2ncc3ccccc3n2)cc1-c1ccccc1C1CCCCC1.Fc1c[c-]c(-c2ncc3ccccc3n2)cc1-c1cccc(CCCCc2ccccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(CCCCCCc3ccccc3)c2)cc1-c1cc(-c2ccccc2)ccn1.[c-]1ccc(-c2cccc(CCCCCCc3ccccc3)c2)cc1-c1nc2ccccc2o1.[c-]1ccc(-c2ccccc2)cc1-c1nc(CCCCCCc2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline;4-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinazoline;2-[4-fluoro-3-[3-(4-phenylbutyl)phenyl]benzene-6-id-1-yl]quinazoline;2-(4-hexylbenzene-6-id-1-yl)quinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-8-methylquinazoline;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-pentylbenzene-6-id-1-yl)-6-phenyl-8-propan-2-ylquinazoline;2-(3-phenylbenzene-6-id-1-yl)-4-(6-phenylhexyl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazole;4-phenyl-2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]quinazoline?
The InChIKey is GMWSXVDZPJOBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N.C32H29N2.C31H28NO.C30H24FN2.C29H31N2.C28H21N2.C27H22F3N2.C27H27N2.C23H19N2.C20H21N2.C5H8O2.8Ir/c1(5-13-28-14-7-3-8-15-28)2-6-16-29-17-11-20-31(25-29)32-21-12-22-34(26-32)35-27-33(23-24-36-35)30-18-9-4-10-19-30;1(5-14-25-15-6-3-7-16-25)2-10-22-30-29-21-11-12-23-31(29)34-32(33-30)28-20-13-19-27(24-28)26-17-8-4-9-18-26;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;31-28-18-17-25(30-32-21-26-14-6-7-16-29(26)33-30)20-27(28)24-15-8-13-23(19-24)12-5-4-11-22-9-2-1-3-10-22;1-5-6-8-12-22-13-11-16-24(17-22)29-30-21(4)27-19-25(23-14-9-7-10-15-23)18-26(20(2)3)28(27)31-29;1-19-10-8-11-20(2)26(19)27-24-16-6-7-17-25(24)29-28(30-27)23-15-9-14-22(18-23)21-12-4-3-5-13-21;28-27(29,30)24-15-14-19(26-31-17-20-10-4-7-13-25(20)32-26)16-23(24)22-12-6-5-11-21(22)18-8-2-1-3-9-18;1-3-4-5-6-11-21-12-8-13-22(17-21)23-14-9-15-24(18-23)27-28-19-25-16-7-10-20(2)26(25)29-27;1-23(2,19-11-4-3-5-12-19)20-13-8-10-17(15-20)22-24-16-18-9-6-7-14-21(18)25-22;1-2-3-4-5-8-16-11-13-17(14-12-16)20-21-15-18-9-6-7-10-19(18)22-20;1-4(6)3-5(2)7;;;;;;;;/h3-4,7-12,14-15,17-21,23-27H,1-2,5-6,13,16H2;3-4,6-9,11-13,15-19,21,23-24H,1-2,5,10,14,22H2;3,6-11,13-14,16-18,20-23H,1-2,4-5,12,15H2;1-3,6-10,13-16,18-21H,4-5,11-12H2;7,9-11,13-15,17-20H,5-6,8,12H2,1-4H3;3-14,16-18H,1-2H3;4-7,10-13,15-18H,1-3,8-9H2;7-10,12-14,16-19H,3-6,11H2,1-2H3;3-9,11-16H,1-2H3;6-7,9-13,15H,2-5,8H2,1H3;3,6H,1-2H3;;;;;;;;/q10*-1;;;;;;;;;.
What are the key properties of 2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline;4-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinazoline;2-[4-fluoro-3-[3-(4-phenylbutyl)phenyl]benzene-6-id-1-yl]quinazoline;2-(4-hexylbenzene-6-id-1-yl)quinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-8-methylquinazoline;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-pentylbenzene-6-id-1-yl)-6-phenyl-8-propan-2-ylquinazoline;2-(3-phenylbenzene-6-id-1-yl)-4-(6-phenylhexyl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazole;4-phenyl-2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]quinazoline?
2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline;4-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinazoline;2-[4-fluoro-3-[3-(4-phenylbutyl)phenyl]benzene-6-id-1-yl]quinazoline;2-(4-hexylbenzene-6-id-1-yl)quinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-8-methylquinazoline;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-pentylbenzene-6-id-1-yl)-6-phenyl-8-propan-2-ylquinazoline;2-(3-phenylbenzene-6-id-1-yl)-4-(6-phenylhexyl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazole;4-phenyl-2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]quinazoline has a molecular weight of 5625.10 g/mol, XLogP of 74.78, 65 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline;4-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinazoline;2-[4-fluoro-3-[3-(4-phenylbutyl)phenyl]benzene-6-id-1-yl]quinazoline;2-(4-hexylbenzene-6-id-1-yl)quinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-8-methylquinazoline;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-pentylbenzene-6-id-1-yl)-6-phenyl-8-propan-2-ylquinazoline;2-(3-phenylbenzene-6-id-1-yl)-4-(6-phenylhexyl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazole;4-phenyl-2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]quinazoline is sourced from PubChem (CID 160805991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).