19-tert-butyl-17-methyl-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-tert-butyl-15-methyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-tert-butyl-13-methyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4-tert-butyl-2-methyl-5H-indeno[1,2-d]pyrimidine;6-tert-butyl-2-methyl-5-(1H-naphthalen-1-id-2-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(2H-naphthalen-2-id-1-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(10H-phenanthren-10-id-9-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-phenyl-4H-pyrimidin-4-ide;ethane;tetrakis(yttrium)

C168H188N16Y4-8 — CID 158053839

IUPAC19-tert-butyl-17-methyl-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-tert-butyl-15-methyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-tert-butyl-13-methyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4-tert-butyl-2-methyl-5H-indeno[1,2-d]pyrimidine;6-tert-butyl-2-methyl-5-(1H-naphthalen-1-id-2-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(2H-naphthalen-2-id-1-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(10H-phenanthren-10-id-9-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-phenyl-4H-pyrimidin-4-ide;ethane;tetrakis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.Cc1n[c-]c(-c2[c-]c3ccccc3c3ccccc23)c(C(C)(C)C)n1.Cc1n[c-]c(-c2[c-]c3ccccc3cc2)c(C(C)(C)C)n1.Cc1n[c-]c(-c2[c-]ccc3ccccc23)c(C(C)(C)C)n1.Cc1n[c-]c(-c2[c-]cccc2)c(C(C)(C)C)n1.Cc1nc2c(c(C(C)(C)C)n1)Cc1c-2c2ccccc2c2ccccc12.Cc1nc2c(c(C(C)(C)C)n1)Cc1c-2ccc2ccccc12.Cc1nc2c(c(C(C)(C)C)n1)Cc1ccc3ccccc3c1-2.Cc1nc2c(c(C(C)(C)C)n1)Cc1ccccc1-2.[Y].[Y].[Y].[Y]
InChIInChI=1S/C24H22N2.C23H20N2.2C20H20N2.2C19H18N2.C16H18N2.C15H16N2.6C2H6.4Y/c1-14-25-22-20(23(26-14)24(2,3)4)13-19-17-11-6-5-9-15(17)16-10-7-8-12-18(16)21(19)22;1-15-24-14-21(22(25-15)23(2,3)4)20-13-16-9-5-6-10-17(16)18-11-7-8-12-19(18)20;1-12-21-18-16(19(22-12)20(2,3)4)11-14-10-9-13-7-5-6-8-15(13)17(14)18;1-12-21-18-15-10-9-13-7-5-6-8-14(13)16(15)11-17(18)19(22-12)20(2,3)4;1-13-20-12-17(18(21-13)19(2,3)4)16-11-7-9-14-8-5-6-10-15(14)16;1-13-20-12-17(18(21-13)19(2,3)4)16-10-9-14-7-5-6-8-15(14)11-16;1-10-17-14-12-8-6-5-7-11(12)9-13(14)15(18-10)16(2,3)4;1-11-16-10-13(12-8-6-5-7-9-12)14(17-11)15(2,3)4;6*1-2;;;;/h5-12H,13H2,1-4H3;5-12H,1-4H3;2*5-10H,11H2,1-4H3;2*5-10H,1-4H3;5-8H,9H2,1-4H3;5-8H,1-4H3;6*1-2H3;;;;/q;-2;;;2*-2;;-2;;;;;;;;;;
InChIKeyBBIPZVQGVXORND-UHFFFAOYSA-N
MW2787.09 g/mol
LogP43.39
Rot. Bonds4

About 19-tert-butyl-17-methyl-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-tert-butyl-15-methyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-tert-butyl-13-methyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4-tert-butyl-2-methyl-5H-indeno[1,2-d]pyrimidine;6-tert-butyl-2-methyl-5-(1H-naphthalen-1-id-2-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(2H-naphthalen-2-id-1-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(10H-phenanthren-10-id-9-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-phenyl-4H-pyrimidin-4-ide;ethane;tetrakis(yttrium)

19-tert-butyl-17-methyl-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-tert-butyl-15-methyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-tert-butyl-13-methyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4-tert-butyl-2-methyl-5H-indeno[1,2-d]pyrimidine;6-tert-butyl-2-methyl-5-(1H-naphthalen-1-id-2-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(2H-naphthalen-2-id-1-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(10H-phenanthren-10-id-9-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-phenyl-4H-pyrimidin-4-ide;ethane;tetrakis(yttrium) (PubChem CID 158053839) has the molecular formula C168H188N16Y4-8 and a molecular weight of 2787.09 g/mol. Its IUPAC name is 19-tert-butyl-17-methyl-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-tert-butyl-15-methyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-tert-butyl-13-methyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4-tert-butyl-2-methyl-5H-indeno[1,2-d]pyrimidine;6-tert-butyl-2-methyl-5-(1H-naphthalen-1-id-2-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(2H-naphthalen-2-id-1-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(10H-phenanthren-10-id-9-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-phenyl-4H-pyrimidin-4-ide;ethane;tetrakis(yttrium).

Molecular Properties

Compound Name19-tert-butyl-17-methyl-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-tert-butyl-15-methyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-tert-butyl-13-methyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4-tert-butyl-2-methyl-5H-indeno[1,2-d]pyrimidine;6-tert-butyl-2-methyl-5-(1H-naphthalen-1-id-2-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(2H-naphthalen-2-id-1-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(10H-phenanthren-10-id-9-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-phenyl-4H-pyrimidin-4-ide;ethane;tetrakis(yttrium)
PubChem CID158053839
Molecular FormulaC168H188N16Y4-8
Molecular Weight2787.09 g/mol
Exact Mass2785.15
IUPAC Name19-tert-butyl-17-methyl-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-tert-butyl-15-methyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-tert-butyl-13-methyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4-tert-butyl-2-methyl-5H-indeno[1,2-d]pyrimidine;6-tert-butyl-2-methyl-5-(1H-naphthalen-1-id-2-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(2H-naphthalen-2-id-1-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(10H-phenanthren-10-id-9-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-phenyl-4H-pyrimidin-4-ide;ethane;tetrakis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.Cc1n[c-]c(-c2[c-]c3ccccc3c3ccccc23)c(C(C)(C)C)n1.Cc1n[c-]c(-c2[c-]c3ccccc3cc2)c(C(C)(C)C)n1.Cc1n[c-]c(-c2[c-]ccc3ccccc23)c(C(C)(C)C)n1.Cc1n[c-]c(-c2[c-]cccc2)c(C(C)(C)C)n1.Cc1nc2c(c(C(C)(C)C)n1)Cc1c-2c2ccccc2c2ccccc12.Cc1nc2c(c(C(C)(C)C)n1)Cc1c-2ccc2ccccc12.Cc1nc2c(c(C(C)(C)C)n1)Cc1ccc3ccccc3c1-2.Cc1nc2c(c(C(C)(C)C)n1)Cc1ccccc1-2.[Y].[Y].[Y].[Y]
InChIInChI=1S/C24H22N2.C23H20N2.2C20H20N2.2C19H18N2.C16H18N2.C15H16N2.6C2H6.4Y/c1-14-25-22-20(23(26-14)24(2,3)4)13-19-17-11-6-5-9-15(17)16-10-7-8-12-18(16)21(19)22;1-15-24-14-21(22(25-15)23(2,3)4)20-13-16-9-5-6-10-17(16)18-11-7-8-12-19(18)20;1-12-21-18-16(19(22-12)20(2,3)4)11-14-10-9-13-7-5-6-8-15(13)17(14)18;1-12-21-18-15-10-9-13-7-5-6-8-14(13)16(15)11-17(18)19(22-12)20(2,3)4;1-13-20-12-17(18(21-13)19(2,3)4)16-11-7-9-14-8-5-6-10-15(14)16;1-13-20-12-17(18(21-13)19(2,3)4)16-10-9-14-7-5-6-8-15(14)11-16;1-10-17-14-12-8-6-5-7-11(12)9-13(14)15(18-10)16(2,3)4;1-11-16-10-13(12-8-6-5-7-9-12)14(17-11)15(2,3)4;6*1-2;;;;/h5-12H,13H2,1-4H3;5-12H,1-4H3;2*5-10H,11H2,1-4H3;2*5-10H,1-4H3;5-8H,9H2,1-4H3;5-8H,1-4H3;6*1-2H3;;;;/q;-2;;;2*-2;;-2;;;;;;;;;;
InChIKeyBBIPZVQGVXORND-UHFFFAOYSA-N
XLogP43.39
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002787.09
LogP ≤ 543.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 19-tert-butyl-17-methyl-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-tert-butyl-15-methyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-tert-butyl-13-methyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4-tert-butyl-2-methyl-5H-indeno[1,2-d]pyrimidine;6-tert-butyl-2-methyl-5-(1H-naphthalen-1-id-2-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(2H-naphthalen-2-id-1-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(10H-phenanthren-10-id-9-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-phenyl-4H-pyrimidin-4-ide;ethane;tetrakis(yttrium) with MolForge

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Related Compounds

CID 159882814
CID 159882814
2-(1H-naphthalen-1-id-2-yl)-3,9-dihydrofluoren-3-ide;3-(1H-naphthalen-1-id-2-yl)-2,9-dihydrofluoren-2-ide;3-(2H-naphthalen-2-id-1-yl)-2,9-dihydrofluoren-2-ide;3-(2H-naphthalen-2-id-1-yl)-4,9-dihydrofluoren-4-ide;3-(3H-naphthalen-3-id-2-yl)-2,9-dihydrofluoren-2-ide;3-(3H-naphthalen-3-id-2-yl)-4,9-dihydrofluoren-4-ide;dodecakis(yttrium)
CID 159399417
ethane;2-(2-methylbenzene-6-id-1-yl)-1H-naphthalen-1-ide;2-(3-methylbenzene-2-id-1-yl)-1H-naphthalen-1-ide;2-(3-methylbenzene-6-id-1-yl)-1H-naphthalen-1-ide;2-(4-methylbenzene-6-id-1-yl)-1H-naphthalen-1-ide;4-methyl-1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide;4-methyl-1-(3H-naphthalen-3-id-2-yl)-2H-naphthalen-2-ide;4-methyl-1-phenyl-2H-naphthalen-2-ide;(yttrium)
CID 161319785
2,5-di(phenyl)-1,6-dihydronaphthalene-1,6-diide;ethane;tris(yttrium)
CID 162057595
5-chloro-11H-indeno[1,2-c]isoquinoline
CID 22290968
13,15-dimethyl-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 4558435
ethane;11-ethyl-12H-indeno[2,1-a]carbazole;9-ethyl-1-phenyl-2H-carbazol-2-ide;bis(9H-fluorene);yttrium
CID 158379429
decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene
CID 160943205
1-(10H-phenanthren-10-id-9-yl)-2H-anthracen-2-ide;yttrium
CID 58813461
13-methyl-2-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;17-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene;23-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene
CID 158650957
7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 158908888
bis(7H-benzo[c]fluorene);ethane;bis(pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);tetrakis(N,N,N'-triethyl-N'-(9-methylcarbazol-2-yl)methanediamine)
CID 165072401

Frequently Asked Questions

What is the IUPAC name of 19-tert-butyl-17-methyl-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-tert-butyl-15-methyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-tert-butyl-13-methyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4-tert-butyl-2-methyl-5H-indeno[1,2-d]pyrimidine;6-tert-butyl-2-methyl-5-(1H-naphthalen-1-id-2-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(2H-naphthalen-2-id-1-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(10H-phenanthren-10-id-9-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-phenyl-4H-pyrimidin-4-ide;ethane;tetrakis(yttrium)?
The IUPAC name of 19-tert-butyl-17-methyl-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-tert-butyl-15-methyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-tert-butyl-13-methyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4-tert-butyl-2-methyl-5H-indeno[1,2-d]pyrimidine;6-tert-butyl-2-methyl-5-(1H-naphthalen-1-id-2-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(2H-naphthalen-2-id-1-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(10H-phenanthren-10-id-9-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-phenyl-4H-pyrimidin-4-ide;ethane;tetrakis(yttrium) (CID 158053839) is 19-tert-butyl-17-methyl-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-tert-butyl-15-methyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-tert-butyl-13-methyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4-tert-butyl-2-methyl-5H-indeno[1,2-d]pyrimidine;6-tert-butyl-2-methyl-5-(1H-naphthalen-1-id-2-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(2H-naphthalen-2-id-1-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(10H-phenanthren-10-id-9-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-phenyl-4H-pyrimidin-4-ide;ethane;tetrakis(yttrium).
What is the SMILES notation for 19-tert-butyl-17-methyl-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-tert-butyl-15-methyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-tert-butyl-13-methyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4-tert-butyl-2-methyl-5H-indeno[1,2-d]pyrimidine;6-tert-butyl-2-methyl-5-(1H-naphthalen-1-id-2-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(2H-naphthalen-2-id-1-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(10H-phenanthren-10-id-9-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-phenyl-4H-pyrimidin-4-ide;ethane;tetrakis(yttrium)?
The canonical SMILES for 19-tert-butyl-17-methyl-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-tert-butyl-15-methyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-tert-butyl-13-methyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4-tert-butyl-2-methyl-5H-indeno[1,2-d]pyrimidine;6-tert-butyl-2-methyl-5-(1H-naphthalen-1-id-2-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(2H-naphthalen-2-id-1-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(10H-phenanthren-10-id-9-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-phenyl-4H-pyrimidin-4-ide;ethane;tetrakis(yttrium) is CC.CC.CC.CC.CC.CC.Cc1n[c-]c(-c2[c-]c3ccccc3c3ccccc23)c(C(C)(C)C)n1.Cc1n[c-]c(-c2[c-]c3ccccc3cc2)c(C(C)(C)C)n1.Cc1n[c-]c(-c2[c-]ccc3ccccc23)c(C(C)(C)C)n1.Cc1n[c-]c(-c2[c-]cccc2)c(C(C)(C)C)n1.Cc1nc2c(c(C(C)(C)C)n1)Cc1c-2c2ccccc2c2ccccc12.Cc1nc2c(c(C(C)(C)C)n1)Cc1c-2ccc2ccccc12.Cc1nc2c(c(C(C)(C)C)n1)Cc1ccc3ccccc3c1-2.Cc1nc2c(c(C(C)(C)C)n1)Cc1ccccc1-2.[Y].[Y].[Y].[Y].
What is the InChIKey of 19-tert-butyl-17-methyl-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-tert-butyl-15-methyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-tert-butyl-13-methyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4-tert-butyl-2-methyl-5H-indeno[1,2-d]pyrimidine;6-tert-butyl-2-methyl-5-(1H-naphthalen-1-id-2-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(2H-naphthalen-2-id-1-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(10H-phenanthren-10-id-9-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-phenyl-4H-pyrimidin-4-ide;ethane;tetrakis(yttrium)?
The InChIKey is BBIPZVQGVXORND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2.C23H20N2.2C20H20N2.2C19H18N2.C16H18N2.C15H16N2.6C2H6.4Y/c1-14-25-22-20(23(26-14)24(2,3)4)13-19-17-11-6-5-9-15(17)16-10-7-8-12-18(16)21(19)22;1-15-24-14-21(22(25-15)23(2,3)4)20-13-16-9-5-6-10-17(16)18-11-7-8-12-19(18)20;1-12-21-18-16(19(22-12)20(2,3)4)11-14-10-9-13-7-5-6-8-15(13)17(14)18;1-12-21-18-15-10-9-13-7-5-6-8-14(13)16(15)11-17(18)19(22-12)20(2,3)4;1-13-20-12-17(18(21-13)19(2,3)4)16-11-7-9-14-8-5-6-10-15(14)16;1-13-20-12-17(18(21-13)19(2,3)4)16-10-9-14-7-5-6-8-15(14)11-16;1-10-17-14-12-8-6-5-7-11(12)9-13(14)15(18-10)16(2,3)4;1-11-16-10-13(12-8-6-5-7-9-12)14(17-11)15(2,3)4;6*1-2;;;;/h5-12H,13H2,1-4H3;5-12H,1-4H3;2*5-10H,11H2,1-4H3;2*5-10H,1-4H3;5-8H,9H2,1-4H3;5-8H,1-4H3;6*1-2H3;;;;/q;-2;;;2*-2;;-2;;;;;;;;;;.
What are the key properties of 19-tert-butyl-17-methyl-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-tert-butyl-15-methyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-tert-butyl-13-methyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4-tert-butyl-2-methyl-5H-indeno[1,2-d]pyrimidine;6-tert-butyl-2-methyl-5-(1H-naphthalen-1-id-2-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(2H-naphthalen-2-id-1-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(10H-phenanthren-10-id-9-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-phenyl-4H-pyrimidin-4-ide;ethane;tetrakis(yttrium)?
19-tert-butyl-17-methyl-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-tert-butyl-15-methyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-tert-butyl-13-methyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4-tert-butyl-2-methyl-5H-indeno[1,2-d]pyrimidine;6-tert-butyl-2-methyl-5-(1H-naphthalen-1-id-2-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(2H-naphthalen-2-id-1-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(10H-phenanthren-10-id-9-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-phenyl-4H-pyrimidin-4-ide;ethane;tetrakis(yttrium) has a molecular weight of 2787.09 g/mol, XLogP of 43.39, 4 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 19-tert-butyl-17-methyl-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-tert-butyl-15-methyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-tert-butyl-13-methyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4-tert-butyl-2-methyl-5H-indeno[1,2-d]pyrimidine;6-tert-butyl-2-methyl-5-(1H-naphthalen-1-id-2-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(2H-naphthalen-2-id-1-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-(10H-phenanthren-10-id-9-yl)-4H-pyrimidin-4-ide;6-tert-butyl-2-methyl-5-phenyl-4H-pyrimidin-4-ide;ethane;tetrakis(yttrium) is sourced from PubChem (CID 158053839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).