3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclopent-2-en-1-one

C193H216N6O17 — CID 172956376

IUPAC3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclopent-2-en-1-one
SMILESC=C(c1ccc(C2=C(O)CCC2=O)cn1)c1cc2c(cc1C)C(C)(C)C=CC2(C)C.CC(C)=C(c1ccc(C2=C(O)CCC2=O)cn1)c1cc2c(cc1C)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1/C(=N/O)c1ccc(C3=C(O)CCC3=O)cn1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C(=O)c1ccc(C3=C(O)CCCC3=O)cc1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cn3)CC1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cn3)CO1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1Cc1ccc(C3=C(O)CCCC3=O)cc1)C(C)(C)CCC2(C)C
InChIInChI=1S/C29H33NO2.C28H31NO2.C28H32O3.C28H34O2.C27H29NO3.C27H29NO2.C26H28N2O3/c1-17(2)26(23-9-8-19(16-30-23)27-24(31)10-11-25(27)32)20-15-22-21(14-18(20)3)28(4,5)12-13-29(22,6)7;1-17-14-20-21(27(4,5)11-10-26(20,2)3)15-19(17)28(12-13-28)24-9-6-18(16-29-24)25-22(30)7-8-23(25)31;1-17-15-21-22(28(4,5)14-13-27(21,2)3)16-20(17)26(31)19-11-9-18(10-12-19)25-23(29)7-6-8-24(25)30;1-18-15-22-23(28(4,5)14-13-27(22,2)3)17-21(18)16-19-9-11-20(12-10-19)26-24(29)7-6-8-25(26)30;1-16-12-19-20(26(4,5)11-10-25(19,2)3)13-18(16)27(15-31-27)23-9-6-17(14-28-23)24-21(29)7-8-22(24)30;1-16-13-20-21(27(5,6)12-11-26(20,3)4)14-19(16)17(2)22-8-7-18(15-28-22)25-23(29)9-10-24(25)30;1-15-12-18-19(26(4,5)11-10-25(18,2)3)13-17(15)24(28-31)20-7-6-16(14-27-20)23-21(29)8-9-22(23)30/h8-9,12-16,31H,10-11H2,1-7H3;6,9-11,14-16,30H,7-8,12-13H2,1-5H3;9-12,15-16,29H,6-8,13-14H2,1-5H3;9-12,15,17,29H,6-8,13-14,16H2,1-5H3;6,9-14,29H,7-8,15H2,1-5H3;7-8,11-15,29H,2,9-10H2,1,3-6H3;6-7,10-14,29,31H,8-9H2,1-5H3/b;;;;;;28-24-
InChIKeyFJGIWRZXDWHWQB-AZLPBNHTSA-N
MW2891.88 g/mol
LogP43.77
Rot. Bonds21

About 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclopent-2-en-1-one

3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclopent-2-en-1-one (PubChem CID 172956376) has the molecular formula C193H216N6O17 and a molecular weight of 2891.88 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]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclopent-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]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclopent-2-en-1-one
PubChem CID172956376
Molecular FormulaC193H216N6O17
Molecular Weight2891.88 g/mol
Exact Mass2889.62
IUPAC Name3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclopent-2-en-1-one
SMILESC=C(c1ccc(C2=C(O)CCC2=O)cn1)c1cc2c(cc1C)C(C)(C)C=CC2(C)C.CC(C)=C(c1ccc(C2=C(O)CCC2=O)cn1)c1cc2c(cc1C)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1/C(=N/O)c1ccc(C3=C(O)CCC3=O)cn1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C(=O)c1ccc(C3=C(O)CCCC3=O)cc1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cn3)CC1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cn3)CO1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1Cc1ccc(C3=C(O)CCCC3=O)cc1)C(C)(C)CCC2(C)C
InChIInChI=1S/C29H33NO2.C28H31NO2.C28H32O3.C28H34O2.C27H29NO3.C27H29NO2.C26H28N2O3/c1-17(2)26(23-9-8-19(16-30-23)27-24(31)10-11-25(27)32)20-15-22-21(14-18(20)3)28(4,5)12-13-29(22,6)7;1-17-14-20-21(27(4,5)11-10-26(20,2)3)15-19(17)28(12-13-28)24-9-6-18(16-29-24)25-22(30)7-8-23(25)31;1-17-15-21-22(28(4,5)14-13-27(21,2)3)16-20(17)26(31)19-11-9-18(10-12-19)25-23(29)7-6-8-24(25)30;1-18-15-22-23(28(4,5)14-13-27(22,2)3)17-21(18)16-19-9-11-20(12-10-19)26-24(29)7-6-8-25(26)30;1-16-12-19-20(26(4,5)11-10-25(19,2)3)13-18(16)27(15-31-27)23-9-6-17(14-28-23)24-21(29)7-8-22(24)30;1-16-13-20-21(27(5,6)12-11-26(20,3)4)14-19(16)17(2)22-8-7-18(15-28-22)25-23(29)9-10-24(25)30;1-15-12-18-19(26(4,5)11-10-25(18,2)3)13-17(15)24(28-31)20-7-6-16(14-27-20)23-21(29)8-9-22(23)30/h8-9,12-16,31H,10-11H2,1-7H3;6,9-11,14-16,30H,7-8,12-13H2,1-5H3;9-12,15-16,29H,6-8,13-14H2,1-5H3;9-12,15,17,29H,6-8,13-14,16H2,1-5H3;6,9-14,29H,7-8,15H2,1-5H3;7-8,11-15,29H,2,9-10H2,1,3-6H3;6-7,10-14,29,31H,8-9H2,1-5H3/b;;;;;;28-24-
InChIKeyFJGIWRZXDWHWQB-AZLPBNHTSA-N
XLogP43.77
TPSA387.74 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002891.88
LogP ≤ 543.77
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclopent-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-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclopent-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]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclopent-2-en-1-one (CID 172956376) is 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclopent-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]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclopent-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]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclopent-2-en-1-one is C=C(c1ccc(C2=C(O)CCC2=O)cn1)c1cc2c(cc1C)C(C)(C)C=CC2(C)C.CC(C)=C(c1ccc(C2=C(O)CCC2=O)cn1)c1cc2c(cc1C)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1/C(=N/O)c1ccc(C3=C(O)CCC3=O)cn1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C(=O)c1ccc(C3=C(O)CCCC3=O)cc1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cn3)CC1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cn3)CO1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1Cc1ccc(C3=C(O)CCCC3=O)cc1)C(C)(C)CCC2(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]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclopent-2-en-1-one?
The InChIKey is FJGIWRZXDWHWQB-AZLPBNHTSA-N. The full InChI is InChI=1S/C29H33NO2.C28H31NO2.C28H32O3.C28H34O2.C27H29NO3.C27H29NO2.C26H28N2O3/c1-17(2)26(23-9-8-19(16-30-23)27-24(31)10-11-25(27)32)20-15-22-21(14-18(20)3)28(4,5)12-13-29(22,6)7;1-17-14-20-21(27(4,5)11-10-26(20,2)3)15-19(17)28(12-13-28)24-9-6-18(16-29-24)25-22(30)7-8-23(25)31;1-17-15-21-22(28(4,5)14-13-27(21,2)3)16-20(17)26(31)19-11-9-18(10-12-19)25-23(29)7-6-8-24(25)30;1-18-15-22-23(28(4,5)14-13-27(22,2)3)17-21(18)16-19-9-11-20(12-10-19)26-24(29)7-6-8-25(26)30;1-16-12-19-20(26(4,5)11-10-25(19,2)3)13-18(16)27(15-31-27)23-9-6-17(14-28-23)24-21(29)7-8-22(24)30;1-16-13-20-21(27(5,6)12-11-26(20,3)4)14-19(16)17(2)22-8-7-18(15-28-22)25-23(29)9-10-24(25)30;1-15-12-18-19(26(4,5)11-10-25(18,2)3)13-17(15)24(28-31)20-7-6-16(14-27-20)23-21(29)8-9-22(23)30/h8-9,12-16,31H,10-11H2,1-7H3;6,9-11,14-16,30H,7-8,12-13H2,1-5H3;9-12,15-16,29H,6-8,13-14H2,1-5H3;9-12,15,17,29H,6-8,13-14,16H2,1-5H3;6,9-14,29H,7-8,15H2,1-5H3;7-8,11-15,29H,2,9-10H2,1,3-6H3;6-7,10-14,29,31H,8-9H2,1-5H3/b;;;;;;28-24-.
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]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclopent-2-en-1-one?
3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclopent-2-en-1-one has a molecular weight of 2891.88 g/mol, XLogP of 43.77, 21 rotatable bonds, 8 hydrogen bond donors, and 23 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]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]phenyl]cyclohex-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]-3-pyridinyl]cyclopent-2-en-1-one is sourced from PubChem (CID 172956376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).