9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-4,14-dinaphthalen-1-yl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;dimethyl 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene-4,14-dicarboxylate;methane;naphthalen-1-ylboronic acid;tungsten;yttrium

C172H161BN8O6WY — CID 158691310

IUPAC9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-4,14-dinaphthalen-1-yl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;dimethyl 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene-4,14-dicarboxylate;methane;naphthalen-1-ylboronic acid;tungsten;yttrium
SMILESC.C.CC(C)(C)c1cc2c3cc(-c4cccc5ccccc45)n(-c4ccccc4)c3c3cc(C(C)(C)C)cc4c5cc(-c6cccc7ccccc67)n(-c6ccccc6)c5c(c1)c2c43.CC(C)(C)c1cc2c3cc[nH]c3c3cc(C(C)(C)C)cc4c5cc[nH]c5c(c1)c2c43.CC(C)(C)c1cc2c3ccn(-c4ccccc4)c3c3cc(C(C)(C)C)cc4c5ccn(-c6ccccc6)c5c(c1)c2c43.COC(=O)c1cc2c3cc(C(C)(C)C)cc4c5[nH]c(C(=O)OC)cc5c5cc(C(C)(C)C)cc(c2[nH]1)c5c34.OB(O)c1cccc2ccccc12.[W].[Y]
InChIInChI=1S/C60H48N2.C40H36N2.C32H32N2O4.C28H28N2.C10H9BO2.2CH4.W.Y/c1-59(2,3)39-31-47-49-35-53(45-29-17-21-37-19-13-15-27-43(37)45)62(42-25-11-8-12-26-42)58(49)52-34-40(60(4,5)6)32-48-50-36-54(46-30-18-22-38-20-14-16-28-44(38)46)61(41-23-9-7-10-24-41)57(50)51(33-39)55(47)56(48)52;1-39(2,3)25-21-31-29-17-19-42(28-15-11-8-12-16-28)38(29)34-24-26(40(4,5)6)22-32-30-18-20-41(27-13-9-7-10-14-27)37(30)33(23-25)35(31)36(32)34;1-31(2,3)15-9-17-19-13-23(29(35)37-7)34-28(19)22-12-16(32(4,5)6)10-18-20-14-24(30(36)38-8)33-27(20)21(11-15)25(17)26(18)22;1-27(2,3)15-11-19-17-7-9-30-26(17)22-14-16(28(4,5)6)12-20-18-8-10-29-25(18)21(13-15)23(19)24(20)22;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;;;;/h7-36H,1-6H3;7-24H,1-6H3;9-14,33-34H,1-8H3;7-14,29-30H,1-6H3;1-7,12-13H;2*1H4;;
InChIKeyIGJPNUFBVZQZQT-UHFFFAOYSA-N
MW2719.79 g/mol
LogP45.42
Rot. Bonds9

About 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-4,14-dinaphthalen-1-yl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;dimethyl 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene-4,14-dicarboxylate;methane;naphthalen-1-ylboronic acid;tungsten;yttrium

9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-4,14-dinaphthalen-1-yl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;dimethyl 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene-4,14-dicarboxylate;methane;naphthalen-1-ylboronic acid;tungsten;yttrium (PubChem CID 158691310) has the molecular formula C172H161BN8O6WY and a molecular weight of 2719.79 g/mol. Its IUPAC name is 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-4,14-dinaphthalen-1-yl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;dimethyl 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene-4,14-dicarboxylate;methane;naphthalen-1-ylboronic acid;tungsten;yttrium.

Molecular Properties

Compound Name9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-4,14-dinaphthalen-1-yl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;dimethyl 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene-4,14-dicarboxylate;methane;naphthalen-1-ylboronic acid;tungsten;yttrium
PubChem CID158691310
Molecular FormulaC172H161BN8O6WY
Molecular Weight2719.79 g/mol
Exact Mass2718.12
IUPAC Name9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-4,14-dinaphthalen-1-yl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;dimethyl 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene-4,14-dicarboxylate;methane;naphthalen-1-ylboronic acid;tungsten;yttrium
SMILESC.C.CC(C)(C)c1cc2c3cc(-c4cccc5ccccc45)n(-c4ccccc4)c3c3cc(C(C)(C)C)cc4c5cc(-c6cccc7ccccc67)n(-c6ccccc6)c5c(c1)c2c43.CC(C)(C)c1cc2c3cc[nH]c3c3cc(C(C)(C)C)cc4c5cc[nH]c5c(c1)c2c43.CC(C)(C)c1cc2c3ccn(-c4ccccc4)c3c3cc(C(C)(C)C)cc4c5ccn(-c6ccccc6)c5c(c1)c2c43.COC(=O)c1cc2c3cc(C(C)(C)C)cc4c5[nH]c(C(=O)OC)cc5c5cc(C(C)(C)C)cc(c2[nH]1)c5c34.OB(O)c1cccc2ccccc12.[W].[Y]
InChIInChI=1S/C60H48N2.C40H36N2.C32H32N2O4.C28H28N2.C10H9BO2.2CH4.W.Y/c1-59(2,3)39-31-47-49-35-53(45-29-17-21-37-19-13-15-27-43(37)45)62(42-25-11-8-12-26-42)58(49)52-34-40(60(4,5)6)32-48-50-36-54(46-30-18-22-38-20-14-16-28-44(38)46)61(41-23-9-7-10-24-41)57(50)51(33-39)55(47)56(48)52;1-39(2,3)25-21-31-29-17-19-42(28-15-11-8-12-16-28)38(29)34-24-26(40(4,5)6)22-32-30-18-20-41(27-13-9-7-10-14-27)37(30)33(23-25)35(31)36(32)34;1-31(2,3)15-9-17-19-13-23(29(35)37-7)34-28(19)22-12-16(32(4,5)6)10-18-20-14-24(30(36)38-8)33-27(20)21(11-15)25(17)26(18)22;1-27(2,3)15-11-19-17-7-9-30-26(17)22-14-16(28(4,5)6)12-20-18-8-10-29-25(18)21(13-15)23(19)24(20)22;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;;;;/h7-36H,1-6H3;7-24H,1-6H3;9-14,33-34H,1-8H3;7-14,29-30H,1-6H3;1-7,12-13H;2*1H4;;
InChIKeyIGJPNUFBVZQZQT-UHFFFAOYSA-N
XLogP45.42
TPSA175.94 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002719.79
LogP ≤ 545.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-4,14-dinaphthalen-1-yl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;dimethyl 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene-4,14-dicarboxylate;methane;naphthalen-1-ylboronic acid;tungsten;yttrium with MolForge

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

Launch Full Analysis

Related Compounds

6-tert-butyl-5-ethyl-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate
CID 158131649
Benzene;bis(methyl 5-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),3,7,9,11(19),12,14,16-nonaene-4-carboxylate)
CID 139089729
ethyl (19R,27S)-2,7,12,17-tetraphenyl-23,28,29,30,31-pentazaheptacyclo[16.9.1.13,6.18,11.113,16.019,27.021,25]hentriaconta-1(28),2,4,6,8(30),9,11,13,15,17,21,24-dodecaene-22-carboxylate
CID 164678768
Dimethyl 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene-4,14-dicarboxylate
CID 59348080
3-[[3-(2-Aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoic acid;methyl 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoate;methyl 3-[(5-naphthalen-2-yl-3-propylindol-1-yl)methyl]benzoate
CID 90895845
ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine
CID 91150394
9,16-ditert-butyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1,4,6,8,10,12,14,16,18-nonaene;9,16-ditert-butyl-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1,4,6,8,10,12,14,16,18-nonaene;methyl 9,16-ditert-butyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1,4,6,8,10,12,14,16,18-nonaene-4-carboxylate;methyl (Z)-3-(2,7-ditert-butylpyren-4-yl)-2-methylprop-2-enoate
CID 91430925
methyl 3-[3-[[4-(7H-benzo[c]carbazol-5-yl)pyridine-3-carbonyl]oxymethyl]-7H-benzo[c]carbazol-5-yl]pyridine-2-carboxylate
CID 134361601
methyl 5-methyl-4-[(5R)-5-methyl-6-oxo-6-[6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]hexyl]-1H-indole-2-carboxylate
CID 142895243
N-[2-(1H-indol-3-yl)ethyl]-2-methylprop-2-enamide;2-methyl-N-(2-methyl-1H-indol-5-yl)prop-2-enamide;2-(2-methylprop-2-enoyloxy)ethyl 1H-indole-2-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 1H-indole-5-carboxylate
CID 157092604
CID 157149630
CID 157149630
2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enenitrile;2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enoic acid;2,3,4,6-tetramethylaniline;1,5,6,7-tetramethylindole-4-carbaldehyde;2-(1,5,6,7-tetramethylindol-4-yl)acetonitrile;3-(5,6,7-trimethyl-1H-indol-4-yl)-3-(5,6,7-trimethyl-3H-indol-2-yl)butanoic acid;bis(5,6,7-trimethyl-2-[2-(5,6,7-trimethyl-1H-indol-4-yl)pent-4-en-2-yl]-3H-indole)
CID 157229470

Frequently Asked Questions

What is the IUPAC name of 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-4,14-dinaphthalen-1-yl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;dimethyl 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene-4,14-dicarboxylate;methane;naphthalen-1-ylboronic acid;tungsten;yttrium?
The IUPAC name of 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-4,14-dinaphthalen-1-yl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;dimethyl 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene-4,14-dicarboxylate;methane;naphthalen-1-ylboronic acid;tungsten;yttrium (CID 158691310) is 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-4,14-dinaphthalen-1-yl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;dimethyl 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene-4,14-dicarboxylate;methane;naphthalen-1-ylboronic acid;tungsten;yttrium.
What is the SMILES notation for 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-4,14-dinaphthalen-1-yl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;dimethyl 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene-4,14-dicarboxylate;methane;naphthalen-1-ylboronic acid;tungsten;yttrium?
The canonical SMILES for 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-4,14-dinaphthalen-1-yl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;dimethyl 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene-4,14-dicarboxylate;methane;naphthalen-1-ylboronic acid;tungsten;yttrium is C.C.CC(C)(C)c1cc2c3cc(-c4cccc5ccccc45)n(-c4ccccc4)c3c3cc(C(C)(C)C)cc4c5cc(-c6cccc7ccccc67)n(-c6ccccc6)c5c(c1)c2c43.CC(C)(C)c1cc2c3cc[nH]c3c3cc(C(C)(C)C)cc4c5cc[nH]c5c(c1)c2c43.CC(C)(C)c1cc2c3ccn(-c4ccccc4)c3c3cc(C(C)(C)C)cc4c5ccn(-c6ccccc6)c5c(c1)c2c43.COC(=O)c1cc2c3cc(C(C)(C)C)cc4c5[nH]c(C(=O)OC)cc5c5cc(C(C)(C)C)cc(c2[nH]1)c5c34.OB(O)c1cccc2ccccc12.[W].[Y].
What is the InChIKey of 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-4,14-dinaphthalen-1-yl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;dimethyl 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene-4,14-dicarboxylate;methane;naphthalen-1-ylboronic acid;tungsten;yttrium?
The InChIKey is IGJPNUFBVZQZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N2.C40H36N2.C32H32N2O4.C28H28N2.C10H9BO2.2CH4.W.Y/c1-59(2,3)39-31-47-49-35-53(45-29-17-21-37-19-13-15-27-43(37)45)62(42-25-11-8-12-26-42)58(49)52-34-40(60(4,5)6)32-48-50-36-54(46-30-18-22-38-20-14-16-28-44(38)46)61(41-23-9-7-10-24-41)57(50)51(33-39)55(47)56(48)52;1-39(2,3)25-21-31-29-17-19-42(28-15-11-8-12-16-28)38(29)34-24-26(40(4,5)6)22-32-30-18-20-41(27-13-9-7-10-14-27)37(30)33(23-25)35(31)36(32)34;1-31(2,3)15-9-17-19-13-23(29(35)37-7)34-28(19)22-12-16(32(4,5)6)10-18-20-14-24(30(36)38-8)33-27(20)21(11-15)25(17)26(18)22;1-27(2,3)15-11-19-17-7-9-30-26(17)22-14-16(28(4,5)6)12-20-18-8-10-29-25(18)21(13-15)23(19)24(20)22;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;;;;/h7-36H,1-6H3;7-24H,1-6H3;9-14,33-34H,1-8H3;7-14,29-30H,1-6H3;1-7,12-13H;2*1H4;;.
What are the key properties of 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-4,14-dinaphthalen-1-yl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;dimethyl 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene-4,14-dicarboxylate;methane;naphthalen-1-ylboronic acid;tungsten;yttrium?
9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-4,14-dinaphthalen-1-yl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;dimethyl 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene-4,14-dicarboxylate;methane;naphthalen-1-ylboronic acid;tungsten;yttrium has a molecular weight of 2719.79 g/mol, XLogP of 45.42, 9 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-4,14-dinaphthalen-1-yl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;dimethyl 9,19-ditert-butyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene-4,14-dicarboxylate;methane;naphthalen-1-ylboronic acid;tungsten;yttrium is sourced from PubChem (CID 158691310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).