2-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine;(NZ)-N-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydroxylamine

C200H277B7N10O19 — CID 172959889

IUPAC2-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine;(NZ)-N-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydroxylamine
SMILESC=C(c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CC(C)=C(c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1/C(=N/N)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1/C(=N/O)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)CC1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)OCCCO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)OCCO1)C(C)(C)CCC2(C)C
InChIInChI=1S/C30H42BNO4.C30H42BNO2.C29H40BNO4.C29H40BNO2.C28H38BNO2.C27H38BN3O2.C27H37BN2O3/c1-20-17-23-24(27(4,5)14-13-26(23,2)3)18-22(20)30(33-15-10-16-34-30)25-12-11-21(19-32-25)31-35-28(6,7)29(8,9)36-31;1-19(2)26(22-17-24-23(16-20(22)3)27(4,5)14-15-28(24,6)7)25-13-12-21(18-32-25)31-33-29(8,9)30(10,11)34-31;1-19-16-22-23(26(4,5)13-12-25(22,2)3)17-21(19)29(32-14-15-33-29)24-11-10-20(18-31-24)30-34-27(6,7)28(8,9)35-30;1-19-16-22-23(26(4,5)13-12-25(22,2)3)17-21(19)29(14-15-29)24-11-10-20(18-31-24)30-32-27(6,7)28(8,9)33-30;1-18-15-22-23(26(5,6)14-13-25(22,3)4)16-21(18)19(2)24-12-11-20(17-30-24)29-31-27(7,8)28(9,10)32-29;1-17-14-20-21(25(4,5)13-12-24(20,2)3)15-19(17)23(31-29)22-11-10-18(16-30-22)28-32-26(6,7)27(8,9)33-28;1-17-14-20-21(25(4,5)13-12-24(20,2)3)15-19(17)23(30-31)22-11-10-18(16-29-22)28-32-26(6,7)27(8,9)33-28/h11-12,17-19H,10,13-16H2,1-9H3;12-13,16-18H,14-15H2,1-11H3;10-11,16-18H,12-15H2,1-9H3;10-11,16-18H,12-15H2,1-9H3;11-12,15-17H,2,13-14H2,1,3-10H3;10-11,14-16H,12-13,29H2,1-9H3;10-11,14-16,31H,12-13H2,1-9H3/b;;;;;31-23-;30-23-
InChIKeyRVRIUUZVSWLFEN-NLGCMMCYSA-N
MW3201.15 g/mol
LogP40.07
Rot. Bonds21

About 2-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine;(NZ)-N-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydroxylamine

2-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine;(NZ)-N-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydroxylamine (PubChem CID 172959889) has the molecular formula C200H277B7N10O19 and a molecular weight of 3201.15 g/mol. Its IUPAC name is 2-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine;(NZ)-N-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name2-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine;(NZ)-N-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydroxylamine
PubChem CID172959889
Molecular FormulaC200H277B7N10O19
Molecular Weight3201.15 g/mol
Exact Mass3200.17
IUPAC Name2-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine;(NZ)-N-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydroxylamine
SMILESC=C(c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CC(C)=C(c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1/C(=N/N)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1/C(=N/O)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)CC1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)OCCCO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)OCCO1)C(C)(C)CCC2(C)C
InChIInChI=1S/C30H42BNO4.C30H42BNO2.C29H40BNO4.C29H40BNO2.C28H38BNO2.C27H38BN3O2.C27H37BN2O3/c1-20-17-23-24(27(4,5)14-13-26(23,2)3)18-22(20)30(33-15-10-16-34-30)25-12-11-21(19-32-25)31-35-28(6,7)29(8,9)36-31;1-19(2)26(22-17-24-23(16-20(22)3)27(4,5)14-15-28(24,6)7)25-13-12-21(18-32-25)31-33-29(8,9)30(10,11)34-31;1-19-16-22-23(26(4,5)13-12-25(22,2)3)17-21(19)29(32-14-15-33-29)24-11-10-20(18-31-24)30-34-27(6,7)28(8,9)35-30;1-19-16-22-23(26(4,5)13-12-25(22,2)3)17-21(19)29(14-15-29)24-11-10-20(18-31-24)30-32-27(6,7)28(8,9)33-30;1-18-15-22-23(26(5,6)14-13-25(22,3)4)16-21(18)19(2)24-12-11-20(17-30-24)29-31-27(7,8)28(9,10)32-29;1-17-14-20-21(25(4,5)13-12-24(20,2)3)15-19(17)23(31-29)22-11-10-18(16-30-22)28-32-26(6,7)27(8,9)33-28;1-17-14-20-21(25(4,5)13-12-24(20,2)3)15-19(17)23(30-31)22-11-10-18(16-29-22)28-32-26(6,7)27(8,9)33-28/h11-12,17-19H,10,13-16H2,1-9H3;12-13,16-18H,14-15H2,1-11H3;10-11,16-18H,12-15H2,1-9H3;10-11,16-18H,12-15H2,1-9H3;11-12,15-17H,2,13-14H2,1,3-10H3;10-11,14-16H,12-13,29H2,1-9H3;10-11,14-16,31H,12-13H2,1-9H3/b;;;;;31-23-;30-23-
InChIKeyRVRIUUZVSWLFEN-NLGCMMCYSA-N
XLogP40.07
TPSA327.34 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds21
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003201.15
LogP ≤ 540.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 2-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine;(NZ)-N-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydroxylamine 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 2-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine;(NZ)-N-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of 2-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine;(NZ)-N-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydroxylamine (CID 172959889) is 2-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine;(NZ)-N-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for 2-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine;(NZ)-N-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for 2-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine;(NZ)-N-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydroxylamine is C=C(c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CC(C)=C(c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1/C(=N/N)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1/C(=N/O)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)CC1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)OCCCO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)OCCO1)C(C)(C)CCC2(C)C.
What is the InChIKey of 2-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine;(NZ)-N-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydroxylamine?
The InChIKey is RVRIUUZVSWLFEN-NLGCMMCYSA-N. The full InChI is InChI=1S/C30H42BNO4.C30H42BNO2.C29H40BNO4.C29H40BNO2.C28H38BNO2.C27H38BN3O2.C27H37BN2O3/c1-20-17-23-24(27(4,5)14-13-26(23,2)3)18-22(20)30(33-15-10-16-34-30)25-12-11-21(19-32-25)31-35-28(6,7)29(8,9)36-31;1-19(2)26(22-17-24-23(16-20(22)3)27(4,5)14-15-28(24,6)7)25-13-12-21(18-32-25)31-33-29(8,9)30(10,11)34-31;1-19-16-22-23(26(4,5)13-12-25(22,2)3)17-21(19)29(32-14-15-33-29)24-11-10-20(18-31-24)30-34-27(6,7)28(8,9)35-30;1-19-16-22-23(26(4,5)13-12-25(22,2)3)17-21(19)29(14-15-29)24-11-10-20(18-31-24)30-32-27(6,7)28(8,9)33-30;1-18-15-22-23(26(5,6)14-13-25(22,3)4)16-21(18)19(2)24-12-11-20(17-30-24)29-31-27(7,8)28(9,10)32-29;1-17-14-20-21(25(4,5)13-12-24(20,2)3)15-19(17)23(31-29)22-11-10-18(16-30-22)28-32-26(6,7)27(8,9)33-28;1-17-14-20-21(25(4,5)13-12-24(20,2)3)15-19(17)23(30-31)22-11-10-18(16-29-22)28-32-26(6,7)27(8,9)33-28/h11-12,17-19H,10,13-16H2,1-9H3;12-13,16-18H,14-15H2,1-11H3;10-11,16-18H,12-15H2,1-9H3;10-11,16-18H,12-15H2,1-9H3;11-12,15-17H,2,13-14H2,1,3-10H3;10-11,14-16H,12-13,29H2,1-9H3;10-11,14-16,31H,12-13H2,1-9H3/b;;;;;31-23-;30-23-.
What are the key properties of 2-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine;(NZ)-N-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydroxylamine?
2-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine;(NZ)-N-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydroxylamine has a molecular weight of 3201.15 g/mol, XLogP of 40.07, 21 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine;(NZ)-N-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 172959889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).