3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;7-(diethylamino)-3-[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]chromen-2-one;7-(diethylamino)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-ethylphenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-imidazo[1,2-a]pyridin-2-ylchromen-2-one;tris(6-hexyl-7-hydroxy-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one);methane

C267H255BrClFN24O42S2 — CID 159239952

IUPAC3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;7-(diethylamino)-3-[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]chromen-2-one;7-(diethylamino)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-ethylphenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-imidazo[1,2-a]pyridin-2-ylchromen-2-one;tris(6-hexyl-7-hydroxy-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one);methane
SMILESC.CCCCCCc1cc2cc(-c3cn4ccccc4n3)c(=O)oc2cc1O.CCCCCCc1cc2cc(-c3csc(-c4nc(-c5cc6cc(CCCCCC)c(O)cc6oc5=O)cs4)n3)c(=O)oc2cc1C.CCCCCCc1cc2cc(-c3nnc(-c4ccc(C)cc4)o3)c(=O)oc2cc1O.CCCCCCc1cc2cc(-c3nnc(-c4ccc(C)cc4)o3)c(=O)oc2cc1O.CCCCCCc1cc2cc(-c3nnc(-c4ccc(C)cc4)o3)c(=O)oc2cc1O.CCCCCCc1cc2cc(-c3nnc(-c4cccc(CC)c4)o3)c(=O)oc2cc1O.CCCCCCc1cc2cc(-c3nnc(-c4cccc(Cl)c4)o3)c(=O)oc2cc1O.CCCCCCc1cc2cc(-c3nnc(-c4cccc(F)c4)o3)c(=O)oc2cc1O.CCN(CC)c1ccc2cc(-c3nnc(-c4cc5ccccc5cc4O)o3)c(=O)oc2c1.CCN(CC)c1ccc2cc(-c3nnc(-c4ccc(C)cc4)o3)c(=O)oc2c1.O=c1oc2ccccc2cc1-c1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C37H38N2O5S2.C25H21N3O4.C25H26N2O4.3C24H24N2O4.C23H21ClN2O4.C23H21FN2O4.C22H21N3O3.C22H22N2O3.C17H9BrN2O3.CH4/c1-4-6-8-10-12-23-15-25-17-27(36(41)43-32(25)14-22(23)3)29-20-45-34(38-29)35-39-30(21-46-35)28-18-26-16-24(13-11-9-7-5-2)31(40)19-33(26)44-37(28)42;1-3-28(4-2)18-10-9-17-12-20(25(30)31-22(17)14-18)24-27-26-23(32-24)19-11-15-7-5-6-8-16(15)13-21(19)29;1-3-5-6-7-10-17-13-19-14-20(25(29)30-22(19)15-21(17)28)24-27-26-23(31-24)18-11-8-9-16(4-2)12-18;3*1-3-4-5-6-7-17-12-18-13-19(24(28)29-21(18)14-20(17)27)23-26-25-22(30-23)16-10-8-15(2)9-11-16;2*1-2-3-4-5-7-14-10-16-12-18(23(28)29-20(16)13-19(14)27)22-26-25-21(30-22)15-8-6-9-17(24)11-15;1-4-25(5-2)17-11-10-16-12-18(22(26)27-19(16)13-17)21-24-23-20(28-21)15-8-6-14(3)7-9-15;1-2-3-4-5-8-15-11-16-12-17(22(26)27-20(16)13-19(15)25)18-14-24-10-7-6-9-21(24)23-18;18-12-6-3-5-11(8-12)15-19-20-16(23-15)13-9-10-4-1-2-7-14(10)22-17(13)21;/h14-21,40H,4-13H2,1-3H3;5-14,29H,3-4H2,1-2H3;8-9,11-15,28H,3-7,10H2,1-2H3;3*8-14,27H,3-7H2,1-2H3;2*6,8-13,27H,2-5,7H2,1H3;6-13H,4-5H2,1-3H3;6-7,9-14,25H,2-5,8H2,1H3;1-9H;1H4
InChIKeyKTYMHIIQKZBIOW-UHFFFAOYSA-N
MW4670.59 g/mol
LogP64.11
Rot. Bonds74

About 3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;7-(diethylamino)-3-[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]chromen-2-one;7-(diethylamino)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-ethylphenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-imidazo[1,2-a]pyridin-2-ylchromen-2-one;tris(6-hexyl-7-hydroxy-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one);methane

3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;7-(diethylamino)-3-[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]chromen-2-one;7-(diethylamino)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-ethylphenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-imidazo[1,2-a]pyridin-2-ylchromen-2-one;tris(6-hexyl-7-hydroxy-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one);methane (PubChem CID 159239952) has the molecular formula C267H255BrClFN24O42S2 and a molecular weight of 4670.59 g/mol. Its IUPAC name is 3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;7-(diethylamino)-3-[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]chromen-2-one;7-(diethylamino)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-ethylphenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-imidazo[1,2-a]pyridin-2-ylchromen-2-one;tris(6-hexyl-7-hydroxy-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one);methane.

Molecular Properties

Compound Name3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;7-(diethylamino)-3-[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]chromen-2-one;7-(diethylamino)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-ethylphenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-imidazo[1,2-a]pyridin-2-ylchromen-2-one;tris(6-hexyl-7-hydroxy-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one);methane
PubChem CID159239952
Molecular FormulaC267H255BrClFN24O42S2
Molecular Weight4670.59 g/mol
Exact Mass4665.69
IUPAC Name3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;7-(diethylamino)-3-[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]chromen-2-one;7-(diethylamino)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-ethylphenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-imidazo[1,2-a]pyridin-2-ylchromen-2-one;tris(6-hexyl-7-hydroxy-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one);methane
SMILESC.CCCCCCc1cc2cc(-c3cn4ccccc4n3)c(=O)oc2cc1O.CCCCCCc1cc2cc(-c3csc(-c4nc(-c5cc6cc(CCCCCC)c(O)cc6oc5=O)cs4)n3)c(=O)oc2cc1C.CCCCCCc1cc2cc(-c3nnc(-c4ccc(C)cc4)o3)c(=O)oc2cc1O.CCCCCCc1cc2cc(-c3nnc(-c4ccc(C)cc4)o3)c(=O)oc2cc1O.CCCCCCc1cc2cc(-c3nnc(-c4ccc(C)cc4)o3)c(=O)oc2cc1O.CCCCCCc1cc2cc(-c3nnc(-c4cccc(CC)c4)o3)c(=O)oc2cc1O.CCCCCCc1cc2cc(-c3nnc(-c4cccc(Cl)c4)o3)c(=O)oc2cc1O.CCCCCCc1cc2cc(-c3nnc(-c4cccc(F)c4)o3)c(=O)oc2cc1O.CCN(CC)c1ccc2cc(-c3nnc(-c4cc5ccccc5cc4O)o3)c(=O)oc2c1.CCN(CC)c1ccc2cc(-c3nnc(-c4ccc(C)cc4)o3)c(=O)oc2c1.O=c1oc2ccccc2cc1-c1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C37H38N2O5S2.C25H21N3O4.C25H26N2O4.3C24H24N2O4.C23H21ClN2O4.C23H21FN2O4.C22H21N3O3.C22H22N2O3.C17H9BrN2O3.CH4/c1-4-6-8-10-12-23-15-25-17-27(36(41)43-32(25)14-22(23)3)29-20-45-34(38-29)35-39-30(21-46-35)28-18-26-16-24(13-11-9-7-5-2)31(40)19-33(26)44-37(28)42;1-3-28(4-2)18-10-9-17-12-20(25(30)31-22(17)14-18)24-27-26-23(32-24)19-11-15-7-5-6-8-16(15)13-21(19)29;1-3-5-6-7-10-17-13-19-14-20(25(29)30-22(19)15-21(17)28)24-27-26-23(31-24)18-11-8-9-16(4-2)12-18;3*1-3-4-5-6-7-17-12-18-13-19(24(28)29-21(18)14-20(17)27)23-26-25-22(30-23)16-10-8-15(2)9-11-16;2*1-2-3-4-5-7-14-10-16-12-18(23(28)29-20(16)13-19(14)27)22-26-25-21(30-22)15-8-6-9-17(24)11-15;1-4-25(5-2)17-11-10-16-12-18(22(26)27-19(16)13-17)21-24-23-20(28-21)15-8-6-14(3)7-9-15;1-2-3-4-5-8-15-11-16-12-17(22(26)27-20(16)13-19(15)25)18-14-24-10-7-6-9-21(24)23-18;18-12-6-3-5-11(8-12)15-19-20-16(23-15)13-9-10-4-1-2-7-14(10)22-17(13)21;/h14-21,40H,4-13H2,1-3H3;5-14,29H,3-4H2,1-2H3;8-9,11-15,28H,3-7,10H2,1-2H3;3*8-14,27H,3-7H2,1-2H3;2*6,8-13,27H,2-5,7H2,1H3;6-13H,4-5H2,1-3H3;6-7,9-14,25H,2-5,8H2,1H3;1-9H;1H4
InChIKeyKTYMHIIQKZBIOW-UHFFFAOYSA-N
XLogP64.11
TPSA944.43 Ų
H-Bond Donors9
H-Bond Acceptors68
Rotatable Bonds74
Heavy Atoms338
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004670.59
LogP ≤ 564.11
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1068

Analyze 3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;7-(diethylamino)-3-[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]chromen-2-one;7-(diethylamino)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-ethylphenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-imidazo[1,2-a]pyridin-2-ylchromen-2-one;tris(6-hexyl-7-hydroxy-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one);methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;7-(diethylamino)-3-[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]chromen-2-one;7-(diethylamino)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-ethylphenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-imidazo[1,2-a]pyridin-2-ylchromen-2-one;tris(6-hexyl-7-hydroxy-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one);methane?
The IUPAC name of 3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;7-(diethylamino)-3-[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]chromen-2-one;7-(diethylamino)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-ethylphenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-imidazo[1,2-a]pyridin-2-ylchromen-2-one;tris(6-hexyl-7-hydroxy-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one);methane (CID 159239952) is 3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;7-(diethylamino)-3-[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]chromen-2-one;7-(diethylamino)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-ethylphenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-imidazo[1,2-a]pyridin-2-ylchromen-2-one;tris(6-hexyl-7-hydroxy-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one);methane.
What is the SMILES notation for 3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;7-(diethylamino)-3-[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]chromen-2-one;7-(diethylamino)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-ethylphenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-imidazo[1,2-a]pyridin-2-ylchromen-2-one;tris(6-hexyl-7-hydroxy-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one);methane?
The canonical SMILES for 3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;7-(diethylamino)-3-[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]chromen-2-one;7-(diethylamino)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-ethylphenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-imidazo[1,2-a]pyridin-2-ylchromen-2-one;tris(6-hexyl-7-hydroxy-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one);methane is C.CCCCCCc1cc2cc(-c3cn4ccccc4n3)c(=O)oc2cc1O.CCCCCCc1cc2cc(-c3csc(-c4nc(-c5cc6cc(CCCCCC)c(O)cc6oc5=O)cs4)n3)c(=O)oc2cc1C.CCCCCCc1cc2cc(-c3nnc(-c4ccc(C)cc4)o3)c(=O)oc2cc1O.CCCCCCc1cc2cc(-c3nnc(-c4ccc(C)cc4)o3)c(=O)oc2cc1O.CCCCCCc1cc2cc(-c3nnc(-c4ccc(C)cc4)o3)c(=O)oc2cc1O.CCCCCCc1cc2cc(-c3nnc(-c4cccc(CC)c4)o3)c(=O)oc2cc1O.CCCCCCc1cc2cc(-c3nnc(-c4cccc(Cl)c4)o3)c(=O)oc2cc1O.CCCCCCc1cc2cc(-c3nnc(-c4cccc(F)c4)o3)c(=O)oc2cc1O.CCN(CC)c1ccc2cc(-c3nnc(-c4cc5ccccc5cc4O)o3)c(=O)oc2c1.CCN(CC)c1ccc2cc(-c3nnc(-c4ccc(C)cc4)o3)c(=O)oc2c1.O=c1oc2ccccc2cc1-c1nnc(-c2cccc(Br)c2)o1.
What is the InChIKey of 3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;7-(diethylamino)-3-[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]chromen-2-one;7-(diethylamino)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-ethylphenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-imidazo[1,2-a]pyridin-2-ylchromen-2-one;tris(6-hexyl-7-hydroxy-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one);methane?
The InChIKey is KTYMHIIQKZBIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N2O5S2.C25H21N3O4.C25H26N2O4.3C24H24N2O4.C23H21ClN2O4.C23H21FN2O4.C22H21N3O3.C22H22N2O3.C17H9BrN2O3.CH4/c1-4-6-8-10-12-23-15-25-17-27(36(41)43-32(25)14-22(23)3)29-20-45-34(38-29)35-39-30(21-46-35)28-18-26-16-24(13-11-9-7-5-2)31(40)19-33(26)44-37(28)42;1-3-28(4-2)18-10-9-17-12-20(25(30)31-22(17)14-18)24-27-26-23(32-24)19-11-15-7-5-6-8-16(15)13-21(19)29;1-3-5-6-7-10-17-13-19-14-20(25(29)30-22(19)15-21(17)28)24-27-26-23(31-24)18-11-8-9-16(4-2)12-18;3*1-3-4-5-6-7-17-12-18-13-19(24(28)29-21(18)14-20(17)27)23-26-25-22(30-23)16-10-8-15(2)9-11-16;2*1-2-3-4-5-7-14-10-16-12-18(23(28)29-20(16)13-19(14)27)22-26-25-21(30-22)15-8-6-9-17(24)11-15;1-4-25(5-2)17-11-10-16-12-18(22(26)27-19(16)13-17)21-24-23-20(28-21)15-8-6-14(3)7-9-15;1-2-3-4-5-8-15-11-16-12-17(22(26)27-20(16)13-19(15)25)18-14-24-10-7-6-9-21(24)23-18;18-12-6-3-5-11(8-12)15-19-20-16(23-15)13-9-10-4-1-2-7-14(10)22-17(13)21;/h14-21,40H,4-13H2,1-3H3;5-14,29H,3-4H2,1-2H3;8-9,11-15,28H,3-7,10H2,1-2H3;3*8-14,27H,3-7H2,1-2H3;2*6,8-13,27H,2-5,7H2,1H3;6-13H,4-5H2,1-3H3;6-7,9-14,25H,2-5,8H2,1H3;1-9H;1H4.
What are the key properties of 3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;7-(diethylamino)-3-[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]chromen-2-one;7-(diethylamino)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-ethylphenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-imidazo[1,2-a]pyridin-2-ylchromen-2-one;tris(6-hexyl-7-hydroxy-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one);methane?
3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;7-(diethylamino)-3-[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]chromen-2-one;7-(diethylamino)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-ethylphenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-imidazo[1,2-a]pyridin-2-ylchromen-2-one;tris(6-hexyl-7-hydroxy-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one);methane has a molecular weight of 4670.59 g/mol, XLogP of 64.11, 74 rotatable bonds, 9 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;7-(diethylamino)-3-[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]chromen-2-one;7-(diethylamino)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one;3-[5-(3-ethylphenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one;6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-imidazo[1,2-a]pyridin-2-ylchromen-2-one;tris(6-hexyl-7-hydroxy-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one);methane is sourced from PubChem (CID 159239952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).