3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-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]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[5-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-5-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one

C190H213N9O20 — CID 172951728

IUPAC3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-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]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[5-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-5-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one
SMILESCc1cc2c(cc1/C(=N\N)c1ccc(C3=C(O)CCC3=O)cn1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C(=O)c1ccc(C3=C(O)CCC3=O)cn1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cn3)CC1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cn3)CO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cn3)COCOC1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cn3)OCCO1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1Cc1ccc(C3=C(O)CCC3=O)cn1)C(C)(C)C=CC2(C)C
InChIInChI=1S/C29H33NO4.C28H31NO4.C28H33NO2.C27H31NO3.C26H29N3O2.C26H27NO3.C26H29NO2/c1-18-12-21-22(28(4,5)11-10-27(21,2)3)13-20(18)29(15-33-17-34-16-29)25-9-6-19(14-30-25)26-23(31)7-8-24(26)32;1-17-14-20-21(27(4,5)11-10-26(20,2)3)15-19(17)28(32-12-13-33-28)24-9-6-18(16-29-24)25-22(30)7-8-23(25)31;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;1-16-12-19-20(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;1-15-12-18-19(26(4,5)11-10-25(18,2)3)13-17(15)24(29-27)20-7-6-16(14-28-20)23-21(30)8-9-22(23)31;1-15-12-18-19(26(4,5)11-10-25(18,2)3)13-17(15)24(30)20-7-6-16(14-27-20)23-21(28)8-9-22(23)29;1-16-12-20-21(26(4,5)11-10-25(20,2)3)14-18(16)13-19-7-6-17(15-27-19)24-22(28)8-9-23(24)29/h6,9-14,31H,7-8,15-17H2,1-5H3;6,9-11,14-16,30H,7-8,12-13H2,1-5H3;6,9,14-16,30H,7-8,10-13H2,1-5H3;6,9,12-14,29H,7-8,10-11,15H2,1-5H3;6-7,10-14,30H,8-9,27H2,1-5H3;6-7,10-14,28H,8-9H2,1-5H3;6-7,10-12,14-15,28H,8-9,13H2,1-5H3/b;;;;29-24+;;
InChIKeyMHGRPJWXBJSBDC-MVHBJIGMSA-N
MW2942.84 g/mol
LogP38.90
Rot. Bonds21

About 3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-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]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[5-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-5-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one

3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-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]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[5-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-5-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one (PubChem CID 172951728) has the molecular formula C190H213N9O20 and a molecular weight of 2942.84 g/mol. Its IUPAC name is 3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-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]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[5-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-5-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-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]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[5-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-5-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one
PubChem CID172951728
Molecular FormulaC190H213N9O20
Molecular Weight2942.84 g/mol
Exact Mass2940.59
IUPAC Name3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-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]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[5-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-5-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one
SMILESCc1cc2c(cc1/C(=N\N)c1ccc(C3=C(O)CCC3=O)cn1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C(=O)c1ccc(C3=C(O)CCC3=O)cn1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cn3)CC1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cn3)CO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cn3)COCOC1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cn3)OCCO1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1Cc1ccc(C3=C(O)CCC3=O)cn1)C(C)(C)C=CC2(C)C
InChIInChI=1S/C29H33NO4.C28H31NO4.C28H33NO2.C27H31NO3.C26H29N3O2.C26H27NO3.C26H29NO2/c1-18-12-21-22(28(4,5)11-10-27(21,2)3)13-20(18)29(15-33-17-34-16-29)25-9-6-19(14-30-25)26-23(31)7-8-24(26)32;1-17-14-20-21(27(4,5)11-10-26(20,2)3)15-19(17)28(32-12-13-33-28)24-9-6-18(16-29-24)25-22(30)7-8-23(25)31;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;1-16-12-19-20(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;1-15-12-18-19(26(4,5)11-10-25(18,2)3)13-17(15)24(29-27)20-7-6-16(14-28-20)23-21(30)8-9-22(23)31;1-15-12-18-19(26(4,5)11-10-25(18,2)3)13-17(15)24(30)20-7-6-16(14-27-20)23-21(28)8-9-22(23)29;1-16-12-20-21(26(4,5)11-10-25(20,2)3)14-18(16)13-19-7-6-17(15-27-19)24-22(28)8-9-23(24)29/h6,9-14,31H,7-8,15-17H2,1-5H3;6,9-11,14-16,30H,7-8,12-13H2,1-5H3;6,9,14-16,30H,7-8,10-13H2,1-5H3;6,9,12-14,29H,7-8,10-11,15H2,1-5H3;6-7,10-14,30H,8-9,27H2,1-5H3;6-7,10-14,28H,8-9H2,1-5H3;6-7,10-12,14-15,28H,8-9,13H2,1-5H3/b;;;;29-24+;;
InChIKeyMHGRPJWXBJSBDC-MVHBJIGMSA-N
XLogP38.90
TPSA456.23 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds21
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002942.84
LogP ≤ 538.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-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]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[5-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-5-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-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-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-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]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[5-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-5-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one?
The IUPAC name of 3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-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]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[5-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-5-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one (CID 172951728) is 3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-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]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[5-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-5-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-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]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[5-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-5-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-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]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[5-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-5-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one is Cc1cc2c(cc1/C(=N\N)c1ccc(C3=C(O)CCC3=O)cn1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C(=O)c1ccc(C3=C(O)CCC3=O)cn1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cn3)CC1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cn3)CO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cn3)COCOC1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cn3)OCCO1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1Cc1ccc(C3=C(O)CCC3=O)cn1)C(C)(C)C=CC2(C)C.
What is the InChIKey of 3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-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]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[5-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-5-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one?
The InChIKey is MHGRPJWXBJSBDC-MVHBJIGMSA-N. The full InChI is InChI=1S/C29H33NO4.C28H31NO4.C28H33NO2.C27H31NO3.C26H29N3O2.C26H27NO3.C26H29NO2/c1-18-12-21-22(28(4,5)11-10-27(21,2)3)13-20(18)29(15-33-17-34-16-29)25-9-6-19(14-30-25)26-23(31)7-8-24(26)32;1-17-14-20-21(27(4,5)11-10-26(20,2)3)15-19(17)28(32-12-13-33-28)24-9-6-18(16-29-24)25-22(30)7-8-23(25)31;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;1-16-12-19-20(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;1-15-12-18-19(26(4,5)11-10-25(18,2)3)13-17(15)24(29-27)20-7-6-16(14-28-20)23-21(30)8-9-22(23)31;1-15-12-18-19(26(4,5)11-10-25(18,2)3)13-17(15)24(30)20-7-6-16(14-27-20)23-21(28)8-9-22(23)29;1-16-12-20-21(26(4,5)11-10-25(20,2)3)14-18(16)13-19-7-6-17(15-27-19)24-22(28)8-9-23(24)29/h6,9-14,31H,7-8,15-17H2,1-5H3;6,9-11,14-16,30H,7-8,12-13H2,1-5H3;6,9,14-16,30H,7-8,10-13H2,1-5H3;6,9,12-14,29H,7-8,10-11,15H2,1-5H3;6-7,10-14,30H,8-9,27H2,1-5H3;6-7,10-14,28H,8-9H2,1-5H3;6-7,10-12,14-15,28H,8-9,13H2,1-5H3/b;;;;29-24+;;.
What are the key properties of 3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-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]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[5-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-5-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one?
3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-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]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[5-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-5-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one has a molecular weight of 2942.84 g/mol, XLogP of 38.90, 21 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-pyridinyl]cyclopent-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]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[5-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxan-5-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethylnaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one is sourced from PubChem (CID 172951728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).