1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[4-(2-tert-butylnaphthalen-1-yl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-(2-tert-butyl-6-phenylphenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-dibenzofuran-4-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-phenylphenyl)quinolin-6-yl]-trimethylsilane;3-hydroxy-1,3-diphenylprop-2-en-1-one;5-hydroxyhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;heptakis(iridium)

C323H377FIr7N7O15Si7-7 — CID 160730607

IUPAC1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[4-(2-tert-butylnaphthalen-1-yl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-(2-tert-butyl-6-phenylphenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-dibenzofuran-4-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-phenylphenyl)quinolin-6-yl]-trimethylsilane;3-hydroxy-1,3-diphenylprop-2-en-1-one;5-hydroxyhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;heptakis(iridium)
SMILESCC(C(=O)C1CCCCC1)=C(O)C1CCCCC1.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)C(O)=CC(=O)C(C)(C)C.CCC(=O)C=C(O)CC.Cc1[c-]c(-c2cc(-c3c(-c4ccccc4)cccc3C(C)(C)C)c3cc([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(-c3c(C(C)(C)C)ccc4ccccc34)c3cc([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)c3cc([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(-c3c(C(C)C)cccc3C(C)C)c3cc([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(-c3ccc(F)cc3)c3cc([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(-c3cccc4c3oc3ccccc34)c3cc([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(-c3ccccc3-c3ccccc3)c3cc([Si](C)(C)C)ccc3n2)cc(C)c1.O=C(C=C(O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.O=C(C=C(O)c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C38H42NSi.C36H38NSi.C34H36NSi.C32H28NOSi.C32H30NSi.C32H38NSi.C26H25FNSi.C23H32O2.C16H26O2.C15H12O2.2C11H20O2.C10H18O2.C7H12O2.7Ir/c1-24(2)32-20-29(28-13-11-10-12-14-28)21-33(25(3)4)38(32)35-23-37(30-18-26(5)17-27(6)19-30)39-36-16-15-31(22-34(35)36)40(7,8)9;1-24-19-25(2)21-27(20-24)34-23-31(30-22-28(38(6,7)8)17-18-33(30)37-34)35-29(26-13-10-9-11-14-26)15-12-16-32(35)36(3,4)5;1-22-17-23(2)19-25(18-22)32-21-29(28-20-26(36(6,7)8)14-16-31(28)35-32)33-27-12-10-9-11-24(27)13-15-30(33)34(3,4)5;1-20-15-21(2)17-22(16-20)30-19-27(28-18-23(35(3,4)5)13-14-29(28)33-30)26-11-8-10-25-24-9-6-7-12-31(24)34-32(25)26;1-22-17-23(2)19-25(18-22)32-21-29(30-20-26(34(3,4)5)15-16-31(30)33-32)28-14-10-9-13-27(28)24-11-7-6-8-12-24;1-20(2)26-11-10-12-27(21(3)4)32(26)29-19-31(24-16-22(5)15-23(6)17-24)33-30-14-13-25(18-28(29)30)34(7,8)9;1-17-12-18(2)14-20(13-17)26-16-23(19-6-8-21(27)9-7-19)24-15-22(29(3,4)5)10-11-25(24)28-26;24-20(22-8-14-1-15(9-22)3-16(2-14)10-22)7-21(25)23-11-17-4-18(12-23)6-19(5-17)13-23;1-12(15(17)13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-10(2,3)8(12)7-9(13)11(4,5)6;1-7(2)8(11)6-9(12)10(3,4)5;1-3-6(8)5-7(9)4-2;;;;;;;/h10-18,20-25H,1-9H3;9-20,22-23H,1-8H3;9-18,20-21H,1-8H3;6-16,18-19H,1-5H3;6-18,20-21H,1-5H3;10-16,18-21H,1-9H3;6-13,15-16H,1-5H3;7,14-19,24H,1-6,8-13H2;13-14,17H,2-11H2,1H3;1-11,16H;2*7,12H,1-6H3;6-7,11H,1-5H3;5,8H,3-4H2,1-2H3;;;;;;;/q7*-1;;;;;;;;;;;;;;
InChIKeyRNIACWLGSACCPC-UHFFFAOYSA-N
MW6158.72 g/mol
LogP85.12
Rot. Bonds44

About 1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[4-(2-tert-butylnaphthalen-1-yl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-(2-tert-butyl-6-phenylphenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-dibenzofuran-4-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-phenylphenyl)quinolin-6-yl]-trimethylsilane;3-hydroxy-1,3-diphenylprop-2-en-1-one;5-hydroxyhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;heptakis(iridium)

1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[4-(2-tert-butylnaphthalen-1-yl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-(2-tert-butyl-6-phenylphenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-dibenzofuran-4-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-phenylphenyl)quinolin-6-yl]-trimethylsilane;3-hydroxy-1,3-diphenylprop-2-en-1-one;5-hydroxyhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;heptakis(iridium) (PubChem CID 160730607) has the molecular formula C323H377FIr7N7O15Si7-7 and a molecular weight of 6158.72 g/mol. Its IUPAC name is 1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[4-(2-tert-butylnaphthalen-1-yl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-(2-tert-butyl-6-phenylphenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-dibenzofuran-4-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-phenylphenyl)quinolin-6-yl]-trimethylsilane;3-hydroxy-1,3-diphenylprop-2-en-1-one;5-hydroxyhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;heptakis(iridium).

Molecular Properties

Compound Name1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[4-(2-tert-butylnaphthalen-1-yl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-(2-tert-butyl-6-phenylphenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-dibenzofuran-4-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-phenylphenyl)quinolin-6-yl]-trimethylsilane;3-hydroxy-1,3-diphenylprop-2-en-1-one;5-hydroxyhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;heptakis(iridium)
PubChem CID160730607
Molecular FormulaC323H377FIr7N7O15Si7-7
Molecular Weight6158.72 g/mol
Exact Mass6159.48
IUPAC Name1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[4-(2-tert-butylnaphthalen-1-yl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-(2-tert-butyl-6-phenylphenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-dibenzofuran-4-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-phenylphenyl)quinolin-6-yl]-trimethylsilane;3-hydroxy-1,3-diphenylprop-2-en-1-one;5-hydroxyhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;heptakis(iridium)
SMILESCC(C(=O)C1CCCCC1)=C(O)C1CCCCC1.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)C(O)=CC(=O)C(C)(C)C.CCC(=O)C=C(O)CC.Cc1[c-]c(-c2cc(-c3c(-c4ccccc4)cccc3C(C)(C)C)c3cc([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(-c3c(C(C)(C)C)ccc4ccccc34)c3cc([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)c3cc([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(-c3c(C(C)C)cccc3C(C)C)c3cc([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(-c3ccc(F)cc3)c3cc([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(-c3cccc4c3oc3ccccc34)c3cc([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(-c3ccccc3-c3ccccc3)c3cc([Si](C)(C)C)ccc3n2)cc(C)c1.O=C(C=C(O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.O=C(C=C(O)c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C38H42NSi.C36H38NSi.C34H36NSi.C32H28NOSi.C32H30NSi.C32H38NSi.C26H25FNSi.C23H32O2.C16H26O2.C15H12O2.2C11H20O2.C10H18O2.C7H12O2.7Ir/c1-24(2)32-20-29(28-13-11-10-12-14-28)21-33(25(3)4)38(32)35-23-37(30-18-26(5)17-27(6)19-30)39-36-16-15-31(22-34(35)36)40(7,8)9;1-24-19-25(2)21-27(20-24)34-23-31(30-22-28(38(6,7)8)17-18-33(30)37-34)35-29(26-13-10-9-11-14-26)15-12-16-32(35)36(3,4)5;1-22-17-23(2)19-25(18-22)32-21-29(28-20-26(36(6,7)8)14-16-31(28)35-32)33-27-12-10-9-11-24(27)13-15-30(33)34(3,4)5;1-20-15-21(2)17-22(16-20)30-19-27(28-18-23(35(3,4)5)13-14-29(28)33-30)26-11-8-10-25-24-9-6-7-12-31(24)34-32(25)26;1-22-17-23(2)19-25(18-22)32-21-29(30-20-26(34(3,4)5)15-16-31(30)33-32)28-14-10-9-13-27(28)24-11-7-6-8-12-24;1-20(2)26-11-10-12-27(21(3)4)32(26)29-19-31(24-16-22(5)15-23(6)17-24)33-30-14-13-25(18-28(29)30)34(7,8)9;1-17-12-18(2)14-20(13-17)26-16-23(19-6-8-21(27)9-7-19)24-15-22(29(3,4)5)10-11-25(24)28-26;24-20(22-8-14-1-15(9-22)3-16(2-14)10-22)7-21(25)23-11-17-4-18(12-23)6-19(5-17)13-23;1-12(15(17)13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-10(2,3)8(12)7-9(13)11(4,5)6;1-7(2)8(11)6-9(12)10(3,4)5;1-3-6(8)5-7(9)4-2;;;;;;;/h10-18,20-25H,1-9H3;9-20,22-23H,1-8H3;9-18,20-21H,1-8H3;6-16,18-19H,1-5H3;6-18,20-21H,1-5H3;10-16,18-21H,1-9H3;6-13,15-16H,1-5H3;7,14-19,24H,1-6,8-13H2;13-14,17H,2-11H2,1H3;1-11,16H;2*7,12H,1-6H3;6-7,11H,1-5H3;5,8H,3-4H2,1-2H3;;;;;;;/q7*-1;;;;;;;;;;;;;;
InChIKeyRNIACWLGSACCPC-UHFFFAOYSA-N
XLogP85.12
TPSA364.47 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds44
Heavy Atoms360
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006158.72
LogP ≤ 585.12
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Analyze 1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[4-(2-tert-butylnaphthalen-1-yl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-(2-tert-butyl-6-phenylphenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-dibenzofuran-4-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-phenylphenyl)quinolin-6-yl]-trimethylsilane;3-hydroxy-1,3-diphenylprop-2-en-1-one;5-hydroxyhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;heptakis(iridium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[4-(2-tert-butylnaphthalen-1-yl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-(2-tert-butyl-6-phenylphenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-dibenzofuran-4-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-phenylphenyl)quinolin-6-yl]-trimethylsilane;3-hydroxy-1,3-diphenylprop-2-en-1-one;5-hydroxyhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;heptakis(iridium)?
The IUPAC name of 1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[4-(2-tert-butylnaphthalen-1-yl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-(2-tert-butyl-6-phenylphenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-dibenzofuran-4-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-phenylphenyl)quinolin-6-yl]-trimethylsilane;3-hydroxy-1,3-diphenylprop-2-en-1-one;5-hydroxyhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;heptakis(iridium) (CID 160730607) is 1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[4-(2-tert-butylnaphthalen-1-yl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-(2-tert-butyl-6-phenylphenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-dibenzofuran-4-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-phenylphenyl)quinolin-6-yl]-trimethylsilane;3-hydroxy-1,3-diphenylprop-2-en-1-one;5-hydroxyhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;heptakis(iridium).
What is the SMILES notation for 1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[4-(2-tert-butylnaphthalen-1-yl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-(2-tert-butyl-6-phenylphenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-dibenzofuran-4-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-phenylphenyl)quinolin-6-yl]-trimethylsilane;3-hydroxy-1,3-diphenylprop-2-en-1-one;5-hydroxyhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;heptakis(iridium)?
The canonical SMILES for 1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[4-(2-tert-butylnaphthalen-1-yl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-(2-tert-butyl-6-phenylphenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-dibenzofuran-4-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-phenylphenyl)quinolin-6-yl]-trimethylsilane;3-hydroxy-1,3-diphenylprop-2-en-1-one;5-hydroxyhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;heptakis(iridium) is CC(C(=O)C1CCCCC1)=C(O)C1CCCCC1.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)C(O)=CC(=O)C(C)(C)C.CCC(=O)C=C(O)CC.Cc1[c-]c(-c2cc(-c3c(-c4ccccc4)cccc3C(C)(C)C)c3cc([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(-c3c(C(C)(C)C)ccc4ccccc34)c3cc([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)c3cc([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(-c3c(C(C)C)cccc3C(C)C)c3cc([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(-c3ccc(F)cc3)c3cc([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(-c3cccc4c3oc3ccccc34)c3cc([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(-c3ccccc3-c3ccccc3)c3cc([Si](C)(C)C)ccc3n2)cc(C)c1.O=C(C=C(O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.O=C(C=C(O)c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[4-(2-tert-butylnaphthalen-1-yl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-(2-tert-butyl-6-phenylphenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-dibenzofuran-4-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-phenylphenyl)quinolin-6-yl]-trimethylsilane;3-hydroxy-1,3-diphenylprop-2-en-1-one;5-hydroxyhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;heptakis(iridium)?
The InChIKey is RNIACWLGSACCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42NSi.C36H38NSi.C34H36NSi.C32H28NOSi.C32H30NSi.C32H38NSi.C26H25FNSi.C23H32O2.C16H26O2.C15H12O2.2C11H20O2.C10H18O2.C7H12O2.7Ir/c1-24(2)32-20-29(28-13-11-10-12-14-28)21-33(25(3)4)38(32)35-23-37(30-18-26(5)17-27(6)19-30)39-36-16-15-31(22-34(35)36)40(7,8)9;1-24-19-25(2)21-27(20-24)34-23-31(30-22-28(38(6,7)8)17-18-33(30)37-34)35-29(26-13-10-9-11-14-26)15-12-16-32(35)36(3,4)5;1-22-17-23(2)19-25(18-22)32-21-29(28-20-26(36(6,7)8)14-16-31(28)35-32)33-27-12-10-9-11-24(27)13-15-30(33)34(3,4)5;1-20-15-21(2)17-22(16-20)30-19-27(28-18-23(35(3,4)5)13-14-29(28)33-30)26-11-8-10-25-24-9-6-7-12-31(24)34-32(25)26;1-22-17-23(2)19-25(18-22)32-21-29(30-20-26(34(3,4)5)15-16-31(30)33-32)28-14-10-9-13-27(28)24-11-7-6-8-12-24;1-20(2)26-11-10-12-27(21(3)4)32(26)29-19-31(24-16-22(5)15-23(6)17-24)33-30-14-13-25(18-28(29)30)34(7,8)9;1-17-12-18(2)14-20(13-17)26-16-23(19-6-8-21(27)9-7-19)24-15-22(29(3,4)5)10-11-25(24)28-26;24-20(22-8-14-1-15(9-22)3-16(2-14)10-22)7-21(25)23-11-17-4-18(12-23)6-19(5-17)13-23;1-12(15(17)13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-10(2,3)8(12)7-9(13)11(4,5)6;1-7(2)8(11)6-9(12)10(3,4)5;1-3-6(8)5-7(9)4-2;;;;;;;/h10-18,20-25H,1-9H3;9-20,22-23H,1-8H3;9-18,20-21H,1-8H3;6-16,18-19H,1-5H3;6-18,20-21H,1-5H3;10-16,18-21H,1-9H3;6-13,15-16H,1-5H3;7,14-19,24H,1-6,8-13H2;13-14,17H,2-11H2,1H3;1-11,16H;2*7,12H,1-6H3;6-7,11H,1-5H3;5,8H,3-4H2,1-2H3;;;;;;;/q7*-1;;;;;;;;;;;;;;.
What are the key properties of 1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[4-(2-tert-butylnaphthalen-1-yl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-(2-tert-butyl-6-phenylphenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-dibenzofuran-4-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-phenylphenyl)quinolin-6-yl]-trimethylsilane;3-hydroxy-1,3-diphenylprop-2-en-1-one;5-hydroxyhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;heptakis(iridium)?
1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[4-(2-tert-butylnaphthalen-1-yl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-(2-tert-butyl-6-phenylphenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-dibenzofuran-4-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-phenylphenyl)quinolin-6-yl]-trimethylsilane;3-hydroxy-1,3-diphenylprop-2-en-1-one;5-hydroxyhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;heptakis(iridium) has a molecular weight of 6158.72 g/mol, XLogP of 85.12, 44 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[4-(2-tert-butylnaphthalen-1-yl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-(2-tert-butyl-6-phenylphenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;[4-dibenzofuran-4-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-phenylphenyl)quinolin-6-yl]-trimethylsilane;3-hydroxy-1,3-diphenylprop-2-en-1-one;5-hydroxyhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;heptakis(iridium) is sourced from PubChem (CID 160730607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).