3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclohex-2-en-1-one

C199H240N10O18 — CID 172922348

IUPAC3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclohex-2-en-1-one
SMILESC=C(c1ccc(C2=C(O)CCCC2=O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CC(C)=C(c1ccc(C2=C(O)CCCC2=O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1/C(=N/N)c1ccc(C3=C(O)CCCC3=O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1/C(=N/O)c1ccc(C3=C(O)CCCC3=O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCCC4=O)cn3)CC1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCCC4=O)cn3)CO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCCC4=O)cn3)OCCCO1)C(C)(C)CCC2(C)C
InChIInChI=1S/C30H37NO4.C30H37NO2.C29H35NO2.C28H33NO3.C28H33NO2.C27H33N3O2.C27H32N2O3/c1-19-16-22-23(29(4,5)13-12-28(22,2)3)17-21(19)30(34-14-7-15-35-30)26-11-10-20(18-31-26)27-24(32)8-6-9-25(27)33;1-18(2)27(24-12-11-20(17-31-24)28-25(32)9-8-10-26(28)33)21-16-23-22(15-19(21)3)29(4,5)13-14-30(23,6)7;1-18-15-21-22(28(4,5)12-11-27(21,2)3)16-20(18)29(13-14-29)25-10-9-19(17-30-25)26-23(31)7-6-8-24(26)32;1-17-13-20-21(27(4,5)12-11-26(20,2)3)14-19(17)28(16-32-28)24-10-9-18(15-29-24)25-22(30)7-6-8-23(25)31;1-17-14-21-22(28(5,6)13-12-27(21,3)4)15-20(17)18(2)23-11-10-19(16-29-23)26-24(30)8-7-9-25(26)31;1-16-13-19-20(27(4,5)12-11-26(19,2)3)14-18(16)25(30-28)21-10-9-17(15-29-21)24-22(31)7-6-8-23(24)32;1-16-13-19-20(27(4,5)12-11-26(19,2)3)14-18(16)25(29-32)21-10-9-17(15-28-21)24-22(30)7-6-8-23(24)31/h10-11,16-18,32H,6-9,12-15H2,1-5H3;11-12,15-17,32H,8-10,13-14H2,1-7H3;9-10,15-17,31H,6-8,11-14H2,1-5H3;9-10,13-15,30H,6-8,11-12,16H2,1-5H3;10-11,14-16,30H,2,7-9,12-13H2,1,3-6H3;9-10,13-15,31H,6-8,11-12,28H2,1-5H3;9-10,13-15,30,32H,6-8,11-12H2,1-5H3/b;;;;;30-25-;29-25-
InChIKeyQYIKSDUKRLGHNH-GNBGTCIBSA-N
MW3060.16 g/mol
LogP45.16
Rot. Bonds21

About 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclohex-2-en-1-one

3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclohex-2-en-1-one (PubChem CID 172922348) has the molecular formula C199H240N10O18 and a molecular weight of 3060.16 g/mol. Its IUPAC name is 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclohex-2-en-1-one
PubChem CID172922348
Molecular FormulaC199H240N10O18
Molecular Weight3060.16 g/mol
Exact Mass3057.82
IUPAC Name3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclohex-2-en-1-one
SMILESC=C(c1ccc(C2=C(O)CCCC2=O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CC(C)=C(c1ccc(C2=C(O)CCCC2=O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1/C(=N/N)c1ccc(C3=C(O)CCCC3=O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1/C(=N/O)c1ccc(C3=C(O)CCCC3=O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCCC4=O)cn3)CC1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCCC4=O)cn3)CO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCCC4=O)cn3)OCCCO1)C(C)(C)CCC2(C)C
InChIInChI=1S/C30H37NO4.C30H37NO2.C29H35NO2.C28H33NO3.C28H33NO2.C27H33N3O2.C27H32N2O3/c1-19-16-22-23(29(4,5)13-12-28(22,2)3)17-21(19)30(34-14-7-15-35-30)26-11-10-20(18-31-26)27-24(32)8-6-9-25(27)33;1-18(2)27(24-12-11-20(17-31-24)28-25(32)9-8-10-26(28)33)21-16-23-22(15-19(21)3)29(4,5)13-14-30(23,6)7;1-18-15-21-22(28(4,5)12-11-27(21,2)3)16-20(18)29(13-14-29)25-10-9-19(17-30-25)26-23(31)7-6-8-24(26)32;1-17-13-20-21(27(4,5)12-11-26(20,2)3)14-19(17)28(16-32-28)24-10-9-18(15-29-24)25-22(30)7-6-8-23(25)31;1-17-14-21-22(28(5,6)13-12-27(21,3)4)15-20(17)18(2)23-11-10-19(16-29-23)26-24(30)8-7-9-25(26)31;1-16-13-19-20(27(4,5)12-11-26(19,2)3)14-18(16)25(30-28)21-10-9-17(15-29-21)24-22(31)7-6-8-23(24)32;1-16-13-19-20(27(4,5)12-11-26(19,2)3)14-18(16)25(29-32)21-10-9-17(15-28-21)24-22(30)7-6-8-23(24)31/h10-11,16-18,32H,6-9,12-15H2,1-5H3;11-12,15-17,32H,8-10,13-14H2,1-7H3;9-10,15-17,31H,6-8,11-14H2,1-5H3;9-10,13-15,30H,6-8,11-12,16H2,1-5H3;10-11,14-16,30H,2,7-9,12-13H2,1,3-6H3;9-10,13-15,31H,6-8,11-12,28H2,1-5H3;9-10,13-15,30,32H,6-8,11-12H2,1-5H3/b;;;;;30-25-;29-25-
InChIKeyQYIKSDUKRLGHNH-GNBGTCIBSA-N
XLogP45.16
TPSA453.29 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003060.16
LogP ≤ 545.16
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclohex-2-en-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclohex-2-en-1-one?
The IUPAC name of 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclohex-2-en-1-one (CID 172922348) is 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclohex-2-en-1-one.
What is the SMILES notation for 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclohex-2-en-1-one?
The canonical SMILES for 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclohex-2-en-1-one is C=C(c1ccc(C2=C(O)CCCC2=O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CC(C)=C(c1ccc(C2=C(O)CCCC2=O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1/C(=N/N)c1ccc(C3=C(O)CCCC3=O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1/C(=N/O)c1ccc(C3=C(O)CCCC3=O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCCC4=O)cn3)CC1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCCC4=O)cn3)CO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCCC4=O)cn3)OCCCO1)C(C)(C)CCC2(C)C.
What is the InChIKey of 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclohex-2-en-1-one?
The InChIKey is QYIKSDUKRLGHNH-GNBGTCIBSA-N. The full InChI is InChI=1S/C30H37NO4.C30H37NO2.C29H35NO2.C28H33NO3.C28H33NO2.C27H33N3O2.C27H32N2O3/c1-19-16-22-23(29(4,5)13-12-28(22,2)3)17-21(19)30(34-14-7-15-35-30)26-11-10-20(18-31-26)27-24(32)8-6-9-25(27)33;1-18(2)27(24-12-11-20(17-31-24)28-25(32)9-8-10-26(28)33)21-16-23-22(15-19(21)3)29(4,5)13-14-30(23,6)7;1-18-15-21-22(28(4,5)12-11-27(21,2)3)16-20(18)29(13-14-29)25-10-9-19(17-30-25)26-23(31)7-6-8-24(26)32;1-17-13-20-21(27(4,5)12-11-26(20,2)3)14-19(17)28(16-32-28)24-10-9-18(15-29-24)25-22(30)7-6-8-23(25)31;1-17-14-21-22(28(5,6)13-12-27(21,3)4)15-20(17)18(2)23-11-10-19(16-29-23)26-24(30)8-7-9-25(26)31;1-16-13-19-20(27(4,5)12-11-26(19,2)3)14-18(16)25(30-28)21-10-9-17(15-29-21)24-22(31)7-6-8-23(24)32;1-16-13-19-20(27(4,5)12-11-26(19,2)3)14-18(16)25(29-32)21-10-9-17(15-28-21)24-22(30)7-6-8-23(24)31/h10-11,16-18,32H,6-9,12-15H2,1-5H3;11-12,15-17,32H,8-10,13-14H2,1-7H3;9-10,15-17,31H,6-8,11-14H2,1-5H3;9-10,13-15,30H,6-8,11-12,16H2,1-5H3;10-11,14-16,30H,2,7-9,12-13H2,1,3-6H3;9-10,13-15,31H,6-8,11-12,28H2,1-5H3;9-10,13-15,30,32H,6-8,11-12H2,1-5H3/b;;;;;30-25-;29-25-.
What are the key properties of 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclohex-2-en-1-one?
3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclohex-2-en-1-one has a molecular weight of 3060.16 g/mol, XLogP of 45.16, 21 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclohex-2-en-1-one is sourced from PubChem (CID 172922348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).