23-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-18,19-diphenyl-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-16,17,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),17,20-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),16,20-decaene

C199H128N26O — CID 158993299

IUPAC23-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-18,19-diphenyl-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-16,17,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),17,20-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),16,20-decaene
SMILESCC1(C)c2ccccc2-c2ccc3c4ccc5c(nc(-c6ccccc6)n5-c5ccccc5)c4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4c(ccc5c4nc(-c4ccccc4)n5-c4ccccc4)c4ccc5c6ccccc6oc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6c7c(ccc6n(-c6ccccc6)c5c43)nc(-c3ccccc3)n7-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6c7nc(-c8ccccc8)n(-c8ccccc8)c7ccc6n(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/2C52H33N7.C49H34N6.C46H28N6O/c1-6-18-34(19-7-1)49-54-50(35-20-8-2-9-21-35)56-52(55-49)59-43-29-17-16-28-39(43)40-30-31-41-45-44(57(47(41)46(40)59)37-24-12-4-13-25-37)33-32-42-48(45)58(38-26-14-5-15-27-38)51(53-42)36-22-10-3-11-23-36;1-6-18-34(19-7-1)49-54-50(35-20-8-2-9-21-35)56-52(55-49)59-42-29-17-16-28-39(42)40-30-31-41-45-43(57(48(41)47(40)59)37-24-12-4-13-25-37)32-33-44-46(45)53-51(36-22-10-3-11-23-36)58(44)38-26-14-5-15-27-38;1-49(2)39-26-16-15-25-35(39)36-27-28-37-38-29-30-40-42(50-47(33-21-11-5-12-22-33)54(40)34-23-13-6-14-24-34)44(38)55(43(37)41(36)49)48-52-45(31-17-7-3-8-18-31)51-46(53-48)32-19-9-4-10-20-32;1-5-15-29(16-6-1)43-48-44(30-17-7-2-8-18-30)50-46(49-43)52-40-34(35-25-26-36-33-23-13-14-24-38(33)53-42(36)41(35)52)27-28-37-39(40)47-45(31-19-9-3-10-20-31)51(37)32-21-11-4-12-22-32/h2*1-33H;3-30H,1-2H3;1-28H
InChIKeyJQKVWCGZCBQKKI-UHFFFAOYSA-N
MW2899.39 g/mol
LogP47.63
Rot. Bonds22

About 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-18,19-diphenyl-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-16,17,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),17,20-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),16,20-decaene

23-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-18,19-diphenyl-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-16,17,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),17,20-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),16,20-decaene (PubChem CID 158993299) has the molecular formula C199H128N26O and a molecular weight of 2899.39 g/mol. Its IUPAC name is 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-18,19-diphenyl-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-16,17,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),17,20-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),16,20-decaene.

Molecular Properties

Compound Name23-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-18,19-diphenyl-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-16,17,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),17,20-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),16,20-decaene
PubChem CID158993299
Molecular FormulaC199H128N26O
Molecular Weight2899.39 g/mol
Exact Mass2897.08
IUPAC Name23-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-18,19-diphenyl-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-16,17,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),17,20-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),16,20-decaene
SMILESCC1(C)c2ccccc2-c2ccc3c4ccc5c(nc(-c6ccccc6)n5-c5ccccc5)c4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4c(ccc5c4nc(-c4ccccc4)n5-c4ccccc4)c4ccc5c6ccccc6oc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6c7c(ccc6n(-c6ccccc6)c5c43)nc(-c3ccccc3)n7-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6c7nc(-c8ccccc8)n(-c8ccccc8)c7ccc6n(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/2C52H33N7.C49H34N6.C46H28N6O/c1-6-18-34(19-7-1)49-54-50(35-20-8-2-9-21-35)56-52(55-49)59-43-29-17-16-28-39(43)40-30-31-41-45-44(57(47(41)46(40)59)37-24-12-4-13-25-37)33-32-42-48(45)58(38-26-14-5-15-27-38)51(53-42)36-22-10-3-11-23-36;1-6-18-34(19-7-1)49-54-50(35-20-8-2-9-21-35)56-52(55-49)59-42-29-17-16-28-39(42)40-30-31-41-45-43(57(48(41)47(40)59)37-24-12-4-13-25-37)32-33-44-46(45)53-51(36-22-10-3-11-23-36)58(44)38-26-14-5-15-27-38;1-49(2)39-26-16-15-25-35(39)36-27-28-37-38-29-30-40-42(50-47(33-21-11-5-12-22-33)54(40)34-23-13-6-14-24-34)44(38)55(43(37)41(36)49)48-52-45(31-17-7-3-8-18-31)51-46(53-48)32-19-9-4-10-20-32;1-5-15-29(16-6-1)43-48-44(30-17-7-2-8-18-30)50-46(49-43)52-40-34(35-25-26-36-33-23-13-14-24-38(33)53-42(36)41(35)52)27-28-37-39(40)47-45(31-19-9-3-10-20-31)51(37)32-21-11-4-12-22-32/h2*1-33H;3-30H,1-2H3;1-28H
InChIKeyJQKVWCGZCBQKKI-UHFFFAOYSA-N
XLogP47.63
TPSA268.68 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002899.39
LogP ≤ 547.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-18,19-diphenyl-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-16,17,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),17,20-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),16,20-decaene with MolForge

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Related Compounds

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-23,23-dimethyl-18,19-diphenyl-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,20-diphenyl-23-oxa-3,18,20-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),18-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;18,19,23-triphenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene
CID 158761899
12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-phenyl-12-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[2,3-a]carbazole
CID 160948499
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-16,17-diphenyl-23-oxa-3,16,18-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),17,20-decaene
CID 122524067
12-[4-dibenzofuran-2-yl-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163847238
11-(4,6-diphenylpyrimidin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 159253282
11-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 169014731
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,20-diphenyl-23-oxa-3,18,20-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),18-decaene
CID 122524180
11-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenylquinoxalin-2-yl)indeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-8-phenylindeno[2,1-a]carbazole
CID 164976984
12,12-dimethyl-11-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole;9-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 160849742
2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;12-[4-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;4,9,9-triphenyl-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzogermolo[2,3-d]pyrimidine
CID 159735009
11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12,12-dimethylindeno[2,1-a]carbazole
CID 126628967
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-18-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 140957382

Frequently Asked Questions

What is the IUPAC name of 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-18,19-diphenyl-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-16,17,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),17,20-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),16,20-decaene?
The IUPAC name of 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-18,19-diphenyl-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-16,17,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),17,20-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),16,20-decaene (CID 158993299) is 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-18,19-diphenyl-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-16,17,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),17,20-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),16,20-decaene.
What is the SMILES notation for 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-18,19-diphenyl-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-16,17,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),17,20-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),16,20-decaene?
The canonical SMILES for 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-18,19-diphenyl-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-16,17,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),17,20-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),16,20-decaene is CC1(C)c2ccccc2-c2ccc3c4ccc5c(nc(-c6ccccc6)n5-c5ccccc5)c4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4c(ccc5c4nc(-c4ccccc4)n5-c4ccccc4)c4ccc5c6ccccc6oc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6c7c(ccc6n(-c6ccccc6)c5c43)nc(-c3ccccc3)n7-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6c7nc(-c8ccccc8)n(-c8ccccc8)c7ccc6n(-c6ccccc6)c5c43)n2)cc1.
What is the InChIKey of 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-18,19-diphenyl-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-16,17,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),17,20-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),16,20-decaene?
The InChIKey is JQKVWCGZCBQKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H33N7.C49H34N6.C46H28N6O/c1-6-18-34(19-7-1)49-54-50(35-20-8-2-9-21-35)56-52(55-49)59-43-29-17-16-28-39(43)40-30-31-41-45-44(57(47(41)46(40)59)37-24-12-4-13-25-37)33-32-42-48(45)58(38-26-14-5-15-27-38)51(53-42)36-22-10-3-11-23-36;1-6-18-34(19-7-1)49-54-50(35-20-8-2-9-21-35)56-52(55-49)59-42-29-17-16-28-39(42)40-30-31-41-45-43(57(48(41)47(40)59)37-24-12-4-13-25-37)32-33-44-46(45)53-51(36-22-10-3-11-23-36)58(44)38-26-14-5-15-27-38;1-49(2)39-26-16-15-25-35(39)36-27-28-37-38-29-30-40-42(50-47(33-21-11-5-12-22-33)54(40)34-23-13-6-14-24-34)44(38)55(43(37)41(36)49)48-52-45(31-17-7-3-8-18-31)51-46(53-48)32-19-9-4-10-20-32;1-5-15-29(16-6-1)43-48-44(30-17-7-2-8-18-30)50-46(49-43)52-40-34(35-25-26-36-33-23-13-14-24-38(33)53-42(36)41(35)52)27-28-37-39(40)47-45(31-19-9-3-10-20-31)51(37)32-21-11-4-12-22-32/h2*1-33H;3-30H,1-2H3;1-28H.
What are the key properties of 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-18,19-diphenyl-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-16,17,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),17,20-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),16,20-decaene?
23-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-18,19-diphenyl-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-16,17,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),17,20-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),16,20-decaene has a molecular weight of 2899.39 g/mol, XLogP of 47.63, 22 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-18,19-diphenyl-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-18,20,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-16,17,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),17,20-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18,23-triphenyl-3,16,18,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),16,20-decaene is sourced from PubChem (CID 158993299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).