3,5-bis(trifluoromethyl)benzene-1,2-diamine;5,7-dimethyl-19,21-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione;5,7-dimethyl-20,22-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,18,20,22,24,26(30),27-tridecaene-11,16-dione;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

C82H38F18N10O10 — CID 160999754

IUPAC3,5-bis(trifluoromethyl)benzene-1,2-diamine;5,7-dimethyl-19,21-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione;5,7-dimethyl-20,22-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,18,20,22,24,26(30),27-tridecaene-11,16-dione;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESCc1cc(C)c2nc3c4ccc5c(=O)n6c7cc(C(F)(F)F)cc(C(F)(F)F)c7nc6c6ccc(c(=O)n3c2c1)c4c56.Cc1cc(C)c2nc3c4ccc5c6c(ccc(c(=O)n3c2c1)c46)c(=O)n1c2cc(C(F)(F)F)cc(C(F)(F)F)c2nc51.Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1N.O=C1OC(=O)c2ccc3c4c(ccc1c24)C(=O)OC3=O
InChIInChI=1S/2C30H14F6N4O2.C14H4O6.C8H6F6N2/c1-11-7-12(2)23-19(8-11)39-25(37-23)14-3-5-17-22-15(4-6-16(21(14)22)27(39)41)26-38-24-18(30(34,35)36)9-13(29(31,32)33)10-20(24)40(26)28(17)42;1-11-7-12(2)23-19(8-11)39-25(37-23)14-3-4-15-22-17(6-5-16(21(14)22)27(39)41)28(42)40-20-10-13(29(31,32)33)9-18(30(34,35)36)24(20)38-26(15)40;15-11-5-1-2-6-10-8(14(18)20-12(6)16)4-3-7(9(5)10)13(17)19-11;9-7(10,11)3-1-4(8(12,13)14)6(16)5(15)2-3/h2*3-10H,1-2H3;1-4H;1-2H,15-16H2
InChIKeyTVSBNKMFIQKDJZ-UHFFFAOYSA-N
MW1665.23 g/mol
LogP18.35
Rot. Bonds

About 3,5-bis(trifluoromethyl)benzene-1,2-diamine;5,7-dimethyl-19,21-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione;5,7-dimethyl-20,22-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,18,20,22,24,26(30),27-tridecaene-11,16-dione;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

3,5-bis(trifluoromethyl)benzene-1,2-diamine;5,7-dimethyl-19,21-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione;5,7-dimethyl-20,22-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,18,20,22,24,26(30),27-tridecaene-11,16-dione;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (PubChem CID 160999754) has the molecular formula C82H38F18N10O10 and a molecular weight of 1665.23 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)benzene-1,2-diamine;5,7-dimethyl-19,21-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione;5,7-dimethyl-20,22-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,18,20,22,24,26(30),27-tridecaene-11,16-dione;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.

Molecular Properties

Compound Name3,5-bis(trifluoromethyl)benzene-1,2-diamine;5,7-dimethyl-19,21-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione;5,7-dimethyl-20,22-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,18,20,22,24,26(30),27-tridecaene-11,16-dione;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
PubChem CID160999754
Molecular FormulaC82H38F18N10O10
Molecular Weight1665.23 g/mol
Exact Mass1664.25
IUPAC Name3,5-bis(trifluoromethyl)benzene-1,2-diamine;5,7-dimethyl-19,21-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione;5,7-dimethyl-20,22-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,18,20,22,24,26(30),27-tridecaene-11,16-dione;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESCc1cc(C)c2nc3c4ccc5c(=O)n6c7cc(C(F)(F)F)cc(C(F)(F)F)c7nc6c6ccc(c(=O)n3c2c1)c4c56.Cc1cc(C)c2nc3c4ccc5c6c(ccc(c(=O)n3c2c1)c46)c(=O)n1c2cc(C(F)(F)F)cc(C(F)(F)F)c2nc51.Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1N.O=C1OC(=O)c2ccc3c4c(ccc1c24)C(=O)OC3=O
InChIInChI=1S/2C30H14F6N4O2.C14H4O6.C8H6F6N2/c1-11-7-12(2)23-19(8-11)39-25(37-23)14-3-5-17-22-15(4-6-16(21(14)22)27(39)41)26-38-24-18(30(34,35)36)9-13(29(31,32)33)10-20(24)40(26)28(17)42;1-11-7-12(2)23-19(8-11)39-25(37-23)14-3-4-15-22-17(6-5-16(21(14)22)27(39)41)28(42)40-20-10-13(29(31,32)33)9-18(30(34,35)36)24(20)38-26(15)40;15-11-5-1-2-6-10-8(14(18)20-12(6)16)4-3-7(9(5)10)13(17)19-11;9-7(10,11)3-1-4(8(12,13)14)6(16)5(15)2-3/h2*3-10H,1-2H3;1-4H;1-2H,15-16H2
InChIKeyTVSBNKMFIQKDJZ-UHFFFAOYSA-N
XLogP18.35
TPSA276.26 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001665.23
LogP ≤ 518.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3,5-bis(trifluoromethyl)benzene-1,2-diamine;5,7-dimethyl-19,21-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione;5,7-dimethyl-20,22-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,18,20,22,24,26(30),27-tridecaene-11,16-dione;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone with MolForge

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Related Compounds

2-[3,5-Bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3-(trifluoromethyl)phenyl]-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 159951318
CID 160026676
CID 160026676
2,7-Bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-6-methyl-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 160311315
CID 160416912
CID 160416912
Methyl 4-[6-(4-methoxycarbonylphenyl)-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]benzoate;methyl 4-[6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]benzoate;methyl 4-[6-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]benzoate;3-[9-[4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole;2-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]carbazole
CID 160595786
3,5-Bis(trifluoromethyl)benzene-1,2-diamine;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;9,11,27,29-tetrakis(trifluoromethyl)-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione;9,11,28,30-tetrakis(trifluoromethyl)-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,16,18,20,22,26,28,30,32,34(38),35,39-octadecaene-15,24-dione
CID 160736536
2-[3,5-Bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-6-methyl-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;7-hexyl-2-(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 161579753
[4-[6-(4-Benzoylphenyl)-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]-phenylmethanone;methyl 4-[4-(4-methoxycarbonylphenyl)-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]benzoate;methyl 4-[4-phenyl-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]benzoate;3-[9-[4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole;phenyl-[4-[6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]phenyl]methanone;phenyl-[4-[6-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]methanone
CID 161698468
3,5-Bis(trifluoromethyl)benzene-1,2-diamine;9,11-dimethyl-27,29-bis(trifluoromethyl)-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione;9,11-dimethyl-28,30-bis(trifluoromethyl)-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,16,18,20,22,26,28,30,32,34(38),35,39-octadecaene-15,24-dione;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 162222284
Methyl 4-[5,8,26,29-tetrakis[3,5-bis(trifluoromethyl)phenyl]-38-(4-methoxycarbonylphenyl)-2,11,16,18,23,32,37,39,43,45-decaza-44,46-diazanidaundecacyclo[31.9.1.13,10.112,22.124,31.04,9.013,21.015,19.025,30.034,42.036,40]hexatetraconta-1(43),2,4,6,8,10,12(45),13,15(19),16,20,22,24,26,28,30,32,34,36(40),37,41-henicosaen-17-yl]benzoate;nickel(2+)
CID 172677564
Methyl 4-[5,8,26,29-tetrakis[3,5-bis(trifluoromethyl)phenyl]-38-(4-methoxycarbonylphenyl)-2,11,16,18,23,32,37,39,43,44,45,46-dodecazaundecacyclo[31.9.1.13,10.112,22.124,31.04,9.013,21.015,19.025,30.034,42.036,40]hexatetraconta-1(43),2,4,6,8,10,12(45),13,15(19),16,20,22,24,26,28,30,32,34,36(40),37,41-henicosaen-17-yl]benzoate
CID 172677565
Methyl 4-[5,8,26,29-tetrakis[3,5-bis(trifluoromethyl)phenyl]-38-(4-methoxycarbonylphenyl)-2,11,16,18,23,32,37,39,43,45-decaza-44,46-diazanidaundecacyclo[31.9.1.13,10.112,22.124,31.04,9.013,21.015,19.025,30.034,42.036,40]hexatetraconta-1(43),2,4,6,8,10,12(45),13,15(19),16,20,22,24,26,28,30,32,34,36(40),37,41-henicosaen-17-yl]benzoate;palladium(2+)
CID 172677568

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)benzene-1,2-diamine;5,7-dimethyl-19,21-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione;5,7-dimethyl-20,22-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,18,20,22,24,26(30),27-tridecaene-11,16-dione;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The IUPAC name of 3,5-bis(trifluoromethyl)benzene-1,2-diamine;5,7-dimethyl-19,21-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione;5,7-dimethyl-20,22-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,18,20,22,24,26(30),27-tridecaene-11,16-dione;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (CID 160999754) is 3,5-bis(trifluoromethyl)benzene-1,2-diamine;5,7-dimethyl-19,21-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione;5,7-dimethyl-20,22-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,18,20,22,24,26(30),27-tridecaene-11,16-dione;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.
What is the SMILES notation for 3,5-bis(trifluoromethyl)benzene-1,2-diamine;5,7-dimethyl-19,21-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione;5,7-dimethyl-20,22-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,18,20,22,24,26(30),27-tridecaene-11,16-dione;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The canonical SMILES for 3,5-bis(trifluoromethyl)benzene-1,2-diamine;5,7-dimethyl-19,21-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione;5,7-dimethyl-20,22-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,18,20,22,24,26(30),27-tridecaene-11,16-dione;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is Cc1cc(C)c2nc3c4ccc5c(=O)n6c7cc(C(F)(F)F)cc(C(F)(F)F)c7nc6c6ccc(c(=O)n3c2c1)c4c56.Cc1cc(C)c2nc3c4ccc5c6c(ccc(c(=O)n3c2c1)c46)c(=O)n1c2cc(C(F)(F)F)cc(C(F)(F)F)c2nc51.Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1N.O=C1OC(=O)c2ccc3c4c(ccc1c24)C(=O)OC3=O.
What is the InChIKey of 3,5-bis(trifluoromethyl)benzene-1,2-diamine;5,7-dimethyl-19,21-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione;5,7-dimethyl-20,22-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,18,20,22,24,26(30),27-tridecaene-11,16-dione;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The InChIKey is TVSBNKMFIQKDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H14F6N4O2.C14H4O6.C8H6F6N2/c1-11-7-12(2)23-19(8-11)39-25(37-23)14-3-5-17-22-15(4-6-16(21(14)22)27(39)41)26-38-24-18(30(34,35)36)9-13(29(31,32)33)10-20(24)40(26)28(17)42;1-11-7-12(2)23-19(8-11)39-25(37-23)14-3-4-15-22-17(6-5-16(21(14)22)27(39)41)28(42)40-20-10-13(29(31,32)33)9-18(30(34,35)36)24(20)38-26(15)40;15-11-5-1-2-6-10-8(14(18)20-12(6)16)4-3-7(9(5)10)13(17)19-11;9-7(10,11)3-1-4(8(12,13)14)6(16)5(15)2-3/h2*3-10H,1-2H3;1-4H;1-2H,15-16H2.
What are the key properties of 3,5-bis(trifluoromethyl)benzene-1,2-diamine;5,7-dimethyl-19,21-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione;5,7-dimethyl-20,22-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,18,20,22,24,26(30),27-tridecaene-11,16-dione;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
3,5-bis(trifluoromethyl)benzene-1,2-diamine;5,7-dimethyl-19,21-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione;5,7-dimethyl-20,22-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,18,20,22,24,26(30),27-tridecaene-11,16-dione;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone has a molecular weight of 1665.23 g/mol, XLogP of 18.35, 0 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethyl)benzene-1,2-diamine;5,7-dimethyl-19,21-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione;5,7-dimethyl-20,22-bis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,18,20,22,24,26(30),27-tridecaene-11,16-dione;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 160999754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).