[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]boronic acid;[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]boronic acid;4,4,5,5-tetramethyl-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]phenyl]-1,3,2-dioxaborolane

C208H278B8N4O22 — CID 160955526

IUPAC[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]boronic acid;[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]boronic acid;4,4,5,5-tetramethyl-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]phenyl]-1,3,2-dioxaborolane
SMILESC=C(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CC(C)=C(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C(=O)c1ccc(B(O)O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(B(O)O)cn3)OCCCO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(B(O)O)cn3)OCCO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)CC1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)CO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1Cc1ccc(B(O)O)cn1)C(C)(C)CCC2(C)C
InChIInChI=1S/C31H43BO2.C30H41BO2.C29H39BO3.C29H39BO2.C24H32BNO4.C23H30BNO4.C21H26BNO3.C21H28BNO2/c1-20(2)27(22-12-14-23(15-13-22)32-33-30(8,9)31(10,11)34-32)24-19-26-25(18-21(24)3)28(4,5)16-17-29(26,6)7;1-20-18-24-25(27(4,5)15-14-26(24,2)3)19-23(20)30(16-17-30)21-10-12-22(13-11-21)31-32-28(6,7)29(8,9)33-31;1-19-16-23-24(26(4,5)15-14-25(23,2)3)17-22(19)29(18-31-29)20-10-12-21(13-11-20)30-32-27(6,7)28(8,9)33-30;1-19-17-24-25(27(5,6)16-15-26(24,3)4)18-23(19)20(2)21-11-13-22(14-12-21)30-31-28(7,8)29(9,10)32-30;1-16-13-19-20(23(4,5)10-9-22(19,2)3)14-18(16)24(29-11-6-12-30-24)21-8-7-17(15-26-21)25(27)28;1-15-12-18-19(22(4,5)9-8-21(18,2)3)13-17(15)23(28-10-11-29-23)20-7-6-16(14-25-20)24(26)27;1-13-10-16-17(21(4,5)9-8-20(16,2)3)11-15(13)19(24)18-7-6-14(12-23-18)22(25)26;1-14-10-18-19(21(4,5)9-8-20(18,2)3)12-15(14)11-17-7-6-16(13-23-17)22(24)25/h12-15,18-19H,16-17H2,1-11H3;10-13,18-19H,14-17H2,1-9H3;10-13,16-17H,14-15,18H2,1-9H3;11-14,17-18H,2,15-16H2,1,3-10H3;7-8,13-15,27-28H,6,9-12H2,1-5H3;6-7,12-14,26-27H,8-11H2,1-5H3;6-7,10-12,25-26H,8-9H2,1-5H3;6-7,10,12-13,24-25H,8-9,11H2,1-5H3
InChIKeySWIGTCFFIIGIFB-UHFFFAOYSA-N
MW3273.01 g/mol
LogP38.21
Rot. Bonds24

About [6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]boronic acid;[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]boronic acid;4,4,5,5-tetramethyl-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]phenyl]-1,3,2-dioxaborolane

[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]boronic acid;[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]boronic acid;4,4,5,5-tetramethyl-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]phenyl]-1,3,2-dioxaborolane (PubChem CID 160955526) has the molecular formula C208H278B8N4O22 and a molecular weight of 3273.01 g/mol. Its IUPAC name is [6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]boronic acid;[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]boronic acid;4,4,5,5-tetramethyl-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]phenyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]boronic acid;[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]boronic acid;4,4,5,5-tetramethyl-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]phenyl]-1,3,2-dioxaborolane
PubChem CID160955526
Molecular FormulaC208H278B8N4O22
Molecular Weight3273.01 g/mol
Exact Mass3272.15
IUPAC Name[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]boronic acid;[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]boronic acid;4,4,5,5-tetramethyl-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]phenyl]-1,3,2-dioxaborolane
SMILESC=C(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CC(C)=C(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C(=O)c1ccc(B(O)O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(B(O)O)cn3)OCCCO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(B(O)O)cn3)OCCO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)CC1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)CO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1Cc1ccc(B(O)O)cn1)C(C)(C)CCC2(C)C
InChIInChI=1S/C31H43BO2.C30H41BO2.C29H39BO3.C29H39BO2.C24H32BNO4.C23H30BNO4.C21H26BNO3.C21H28BNO2/c1-20(2)27(22-12-14-23(15-13-22)32-33-30(8,9)31(10,11)34-32)24-19-26-25(18-21(24)3)28(4,5)16-17-29(26,6)7;1-20-18-24-25(27(4,5)15-14-26(24,2)3)19-23(20)30(16-17-30)21-10-12-22(13-11-21)31-32-28(6,7)29(8,9)33-31;1-19-16-23-24(26(4,5)15-14-25(23,2)3)17-22(19)29(18-31-29)20-10-12-21(13-11-20)30-32-27(6,7)28(8,9)33-30;1-19-17-24-25(27(5,6)16-15-26(24,3)4)18-23(19)20(2)21-11-13-22(14-12-21)30-31-28(7,8)29(9,10)32-30;1-16-13-19-20(23(4,5)10-9-22(19,2)3)14-18(16)24(29-11-6-12-30-24)21-8-7-17(15-26-21)25(27)28;1-15-12-18-19(22(4,5)9-8-21(18,2)3)13-17(15)23(28-10-11-29-23)20-7-6-16(14-25-20)24(26)27;1-13-10-16-17(21(4,5)9-8-20(16,2)3)11-15(13)19(24)18-7-6-14(12-23-18)22(25)26;1-14-10-18-19(21(4,5)9-8-20(18,2)3)12-15(14)11-17-7-6-16(13-23-17)22(24)25/h12-15,18-19H,16-17H2,1-11H3;10-13,18-19H,14-17H2,1-9H3;10-13,16-17H,14-15,18H2,1-9H3;11-14,17-18H,2,15-16H2,1,3-10H3;7-8,13-15,27-28H,6,9-12H2,1-5H3;6-7,12-14,26-27H,8-11H2,1-5H3;6-7,10-12,25-26H,8-9H2,1-5H3;6-7,10,12-13,24-25H,8-9,11H2,1-5H3
InChIKeySWIGTCFFIIGIFB-UHFFFAOYSA-N
XLogP38.21
TPSA353.76 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003273.01
LogP ≤ 538.21
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze [6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]boronic acid;[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]boronic acid;4,4,5,5-tetramethyl-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]phenyl]-1,3,2-dioxaborolane 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 [6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]boronic acid;[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]boronic acid;4,4,5,5-tetramethyl-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]phenyl]-1,3,2-dioxaborolane?
The IUPAC name of [6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]boronic acid;[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]boronic acid;4,4,5,5-tetramethyl-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]phenyl]-1,3,2-dioxaborolane (CID 160955526) is [6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]boronic acid;[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]boronic acid;4,4,5,5-tetramethyl-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]phenyl]-1,3,2-dioxaborolane.
What is the SMILES notation for [6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]boronic acid;[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]boronic acid;4,4,5,5-tetramethyl-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]phenyl]-1,3,2-dioxaborolane?
The canonical SMILES for [6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]boronic acid;[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]boronic acid;4,4,5,5-tetramethyl-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]phenyl]-1,3,2-dioxaborolane is C=C(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CC(C)=C(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C(=O)c1ccc(B(O)O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(B(O)O)cn3)OCCCO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(B(O)O)cn3)OCCO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)CC1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)CO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1Cc1ccc(B(O)O)cn1)C(C)(C)CCC2(C)C.
What is the InChIKey of [6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]boronic acid;[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]boronic acid;4,4,5,5-tetramethyl-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]phenyl]-1,3,2-dioxaborolane?
The InChIKey is SWIGTCFFIIGIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43BO2.C30H41BO2.C29H39BO3.C29H39BO2.C24H32BNO4.C23H30BNO4.C21H26BNO3.C21H28BNO2/c1-20(2)27(22-12-14-23(15-13-22)32-33-30(8,9)31(10,11)34-32)24-19-26-25(18-21(24)3)28(4,5)16-17-29(26,6)7;1-20-18-24-25(27(4,5)15-14-26(24,2)3)19-23(20)30(16-17-30)21-10-12-22(13-11-21)31-32-28(6,7)29(8,9)33-31;1-19-16-23-24(26(4,5)15-14-25(23,2)3)17-22(19)29(18-31-29)20-10-12-21(13-11-20)30-32-27(6,7)28(8,9)33-30;1-19-17-24-25(27(5,6)16-15-26(24,3)4)18-23(19)20(2)21-11-13-22(14-12-21)30-31-28(7,8)29(9,10)32-30;1-16-13-19-20(23(4,5)10-9-22(19,2)3)14-18(16)24(29-11-6-12-30-24)21-8-7-17(15-26-21)25(27)28;1-15-12-18-19(22(4,5)9-8-21(18,2)3)13-17(15)23(28-10-11-29-23)20-7-6-16(14-25-20)24(26)27;1-13-10-16-17(21(4,5)9-8-20(16,2)3)11-15(13)19(24)18-7-6-14(12-23-18)22(25)26;1-14-10-18-19(21(4,5)9-8-20(18,2)3)12-15(14)11-17-7-6-16(13-23-17)22(24)25/h12-15,18-19H,16-17H2,1-11H3;10-13,18-19H,14-17H2,1-9H3;10-13,16-17H,14-15,18H2,1-9H3;11-14,17-18H,2,15-16H2,1,3-10H3;7-8,13-15,27-28H,6,9-12H2,1-5H3;6-7,12-14,26-27H,8-11H2,1-5H3;6-7,10-12,25-26H,8-9H2,1-5H3;6-7,10,12-13,24-25H,8-9,11H2,1-5H3.
What are the key properties of [6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]boronic acid;[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]boronic acid;4,4,5,5-tetramethyl-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]phenyl]-1,3,2-dioxaborolane?
[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]boronic acid;[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]boronic acid;4,4,5,5-tetramethyl-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]phenyl]-1,3,2-dioxaborolane has a molecular weight of 3273.01 g/mol, XLogP of 38.21, 24 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]boronic acid;[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]boronic acid;[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]boronic acid;4,4,5,5-tetramethyl-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 160955526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).