3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclohex-2-en-1-one

C195H220N10O20 — CID 172985190

IUPAC3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclohex-2-en-1-one
SMILESC=C(c1ccc(C2=C(O)CCCC2=O)cn1)c1cc2c(cc1C)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1/C(=N/N)c1ccc(C3=C(O)CCCC3=O)cn1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1/C(=N/O)c1ccc(C3=C(O)CCCC3=O)cn1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C(=O)c1ccc(C3=C(O)CCCC3=O)cn1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCCC4=O)cn3)OCCCO1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCCC4=O)cn3)OCCO1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1Cc1ccc(C3=C(O)CCCC3=O)cn1)C(C)(C)C=CC2(C)C
InChIInChI=1S/C30H35NO4.C29H33NO4.C28H31NO2.C27H31N3O2.C27H30N2O3.C27H29NO3.C27H31NO2/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;1-18-15-21-22(28(4,5)12-11-27(21,2)3)16-20(18)29(33-13-14-34-29)25-10-9-19(17-30-25)26-23(31)7-6-8-24(26)32;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;1-16-13-19-20(27(4,5)12-11-26(19,2)3)14-18(16)25(31)21-10-9-17(15-28-21)24-22(29)7-6-8-23(24)30;1-17-13-21-22(27(4,5)12-11-26(21,2)3)15-19(17)14-20-10-9-18(16-28-20)25-23(29)7-6-8-24(25)30/h10-13,16-18,32H,6-9,14-15H2,1-5H3;9-12,15-17,31H,6-8,13-14H2,1-5H3;10-16,30H,2,7-9H2,1,3-6H3;9-15,31H,6-8,28H2,1-5H3;9-15,30,32H,6-8H2,1-5H3;9-15,29H,6-8H2,1-5H3;9-13,15-16,29H,6-8,14H2,1-5H3/b;;;30-25-;29-25-;;
InChIKeyXNPPESPWPJNXLZ-XFLQNSHXSA-N
MW3023.95 g/mol
LogP41.47
Rot. Bonds21

About 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclohex-2-en-1-one

3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclohex-2-en-1-one (PubChem CID 172985190) has the molecular formula C195H220N10O20 and a molecular weight of 3023.95 g/mol. Its IUPAC name is 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclohex-2-en-1-one
PubChem CID172985190
Molecular FormulaC195H220N10O20
Molecular Weight3023.95 g/mol
Exact Mass3021.65
IUPAC Name3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclohex-2-en-1-one
SMILESC=C(c1ccc(C2=C(O)CCCC2=O)cn1)c1cc2c(cc1C)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1/C(=N/N)c1ccc(C3=C(O)CCCC3=O)cn1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1/C(=N/O)c1ccc(C3=C(O)CCCC3=O)cn1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C(=O)c1ccc(C3=C(O)CCCC3=O)cn1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCCC4=O)cn3)OCCCO1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCCC4=O)cn3)OCCO1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1Cc1ccc(C3=C(O)CCCC3=O)cn1)C(C)(C)C=CC2(C)C
InChIInChI=1S/C30H35NO4.C29H33NO4.C28H31NO2.C27H31N3O2.C27H30N2O3.C27H29NO3.C27H31NO2/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;1-18-15-21-22(28(4,5)12-11-27(21,2)3)16-20(18)29(33-13-14-34-29)25-10-9-19(17-30-25)26-23(31)7-6-8-24(26)32;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;1-16-13-19-20(27(4,5)12-11-26(19,2)3)14-18(16)25(31)21-10-9-17(15-28-21)24-22(29)7-6-8-23(24)30;1-17-13-21-22(27(4,5)12-11-26(21,2)3)15-19(17)14-20-10-9-18(16-28-20)25-23(29)7-6-8-24(25)30/h10-13,16-18,32H,6-9,14-15H2,1-5H3;9-12,15-17,31H,6-8,13-14H2,1-5H3;10-16,30H,2,7-9H2,1,3-6H3;9-15,31H,6-8,28H2,1-5H3;9-15,30,32H,6-8H2,1-5H3;9-15,29H,6-8H2,1-5H3;9-13,15-16,29H,6-8,14H2,1-5H3/b;;;30-25-;29-25-;;
InChIKeyXNPPESPWPJNXLZ-XFLQNSHXSA-N
XLogP41.47
TPSA476.29 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds21
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003023.95
LogP ≤ 541.47
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclohex-2-en-1-one?
The IUPAC name of 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclohex-2-en-1-one (CID 172985190) is 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-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-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclohex-2-en-1-one?
The canonical SMILES for 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclohex-2-en-1-one is C=C(c1ccc(C2=C(O)CCCC2=O)cn1)c1cc2c(cc1C)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1/C(=N/N)c1ccc(C3=C(O)CCCC3=O)cn1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1/C(=N/O)c1ccc(C3=C(O)CCCC3=O)cn1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C(=O)c1ccc(C3=C(O)CCCC3=O)cn1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCCC4=O)cn3)OCCCO1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCCC4=O)cn3)OCCO1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1Cc1ccc(C3=C(O)CCCC3=O)cn1)C(C)(C)C=CC2(C)C.
What is the InChIKey of 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclohex-2-en-1-one?
The InChIKey is XNPPESPWPJNXLZ-XFLQNSHXSA-N. The full InChI is InChI=1S/C30H35NO4.C29H33NO4.C28H31NO2.C27H31N3O2.C27H30N2O3.C27H29NO3.C27H31NO2/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;1-18-15-21-22(28(4,5)12-11-27(21,2)3)16-20(18)29(33-13-14-34-29)25-10-9-19(17-30-25)26-23(31)7-6-8-24(26)32;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;1-16-13-19-20(27(4,5)12-11-26(19,2)3)14-18(16)25(31)21-10-9-17(15-28-21)24-22(29)7-6-8-23(24)30;1-17-13-21-22(27(4,5)12-11-26(21,2)3)15-19(17)14-20-10-9-18(16-28-20)25-23(29)7-6-8-24(25)30/h10-13,16-18,32H,6-9,14-15H2,1-5H3;9-12,15-17,31H,6-8,13-14H2,1-5H3;10-16,30H,2,7-9H2,1,3-6H3;9-15,31H,6-8,28H2,1-5H3;9-15,30,32H,6-8H2,1-5H3;9-15,29H,6-8H2,1-5H3;9-13,15-16,29H,6-8,14H2,1-5H3/b;;;30-25-;29-25-;;.
What are the key properties of 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclohex-2-en-1-one?
3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclohex-2-en-1-one has a molecular weight of 3023.95 g/mol, XLogP of 41.47, 21 rotatable bonds, 9 hydrogen bond donors, and 30 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-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclohex-2-en-1-one is sourced from PubChem (CID 172985190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).