3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6,10,14-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole

C218H138N42O2 — CID 159488483

IUPAC3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6,10,14-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2ccnc(/C3=N/c4cnccc4/C(c4cc(-c5ccccc5)ccn4)=N\c4cnccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(/C4=N/c5cnccc5/C(c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)=N\c5cnccc54)cc3)n2)cc1.c1ccc(-c2nnc(-c3ccc(/C4=N/c5cnccc5/C(c5ccc(-c6nnc(-c7ccccc7)[nH]6)cc5)=N\c5cnccc54)cc3)[nH]2)cc1.c1ccc(-c2nnc(-c3ccc(/C4=N/c5cnccc5/C(c5ccc(-c6nnc(-c7ccccc7)o6)cc5)=N\c5cnccc54)cc3)o2)cc1.c1ccc(-n2c(-c3ccc(/C4=N/c5ccncc5/C(c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)=N\c5ccncc54)cc3)nc3ccccc32)cc1
InChIInChI=1S/C54H34N10.C50H32N8.C40H26N10.C40H24N8O2.C34H22N6/c1-5-13-37(14-6-1)49-59-50(38-15-7-2-8-16-38)62-53(61-49)41-25-21-35(22-26-41)47-43-29-31-55-33-45(43)58-48(44-30-32-56-34-46(44)57-47)36-23-27-42(28-24-36)54-63-51(39-17-9-3-10-18-39)60-52(64-54)40-19-11-4-12-20-40;1-3-11-37(12-4-1)57-45-17-9-7-15-43(45)55-49(57)35-23-19-33(20-24-35)47-39-31-51-29-27-41(39)54-48(40-32-52-30-28-42(40)53-47)34-21-25-36(26-22-34)50-56-44-16-8-10-18-46(44)58(50)38-13-5-2-6-14-38;1-3-7-27(8-4-1)37-45-39(49-47-37)29-15-11-25(12-16-29)35-31-19-21-41-23-33(31)44-36(32-20-22-42-24-34(32)43-35)26-13-17-30(18-14-26)40-46-38(48-50-40)28-9-5-2-6-10-28;1-3-7-27(8-4-1)37-45-47-39(49-37)29-15-11-25(12-16-29)35-31-19-21-41-23-33(31)44-36(32-20-22-42-24-34(32)43-35)26-13-17-30(18-14-26)40-48-46-38(50-40)28-9-5-2-6-10-28;1-3-7-23(8-4-1)25-11-17-37-29(19-25)33-27-13-15-35-21-31(27)40-34(28-14-16-36-22-32(28)39-33)30-20-26(12-18-38-30)24-9-5-2-6-10-24/h1-34H;1-32H;1-24H,(H,45,47,49)(H,46,48,50);1-24H;1-22H/b47-43-,48-44-,57-46-,57-47-,58-45-,58-48-;47-39-,48-40-,53-42-,53-47-,54-41-,54-48-;2*35-31-,36-32-,43-34-,43-35-,44-33-,44-36-;33-27-,34-28-,39-32-,39-33+,40-31-,40-34+
InChIKeyLXWOSROLHNOKMF-ZVAUSMHLSA-N
MW3377.79 g/mol
LogP46.49
Rot. Bonds30

About 3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6,10,14-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole

3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6,10,14-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 159488483) has the molecular formula C218H138N42O2 and a molecular weight of 3377.79 g/mol. Its IUPAC name is 3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6,10,14-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6,10,14-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole
PubChem CID159488483
Molecular FormulaC218H138N42O2
Molecular Weight3377.79 g/mol
Exact Mass3375.20
IUPAC Name3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6,10,14-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2ccnc(/C3=N/c4cnccc4/C(c4cc(-c5ccccc5)ccn4)=N\c4cnccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(/C4=N/c5cnccc5/C(c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)=N\c5cnccc54)cc3)n2)cc1.c1ccc(-c2nnc(-c3ccc(/C4=N/c5cnccc5/C(c5ccc(-c6nnc(-c7ccccc7)[nH]6)cc5)=N\c5cnccc54)cc3)[nH]2)cc1.c1ccc(-c2nnc(-c3ccc(/C4=N/c5cnccc5/C(c5ccc(-c6nnc(-c7ccccc7)o6)cc5)=N\c5cnccc54)cc3)o2)cc1.c1ccc(-n2c(-c3ccc(/C4=N/c5ccncc5/C(c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)=N\c5ccncc54)cc3)nc3ccccc32)cc1
InChIInChI=1S/C54H34N10.C50H32N8.C40H26N10.C40H24N8O2.C34H22N6/c1-5-13-37(14-6-1)49-59-50(38-15-7-2-8-16-38)62-53(61-49)41-25-21-35(22-26-41)47-43-29-31-55-33-45(43)58-48(44-30-32-56-34-46(44)57-47)36-23-27-42(28-24-36)54-63-51(39-17-9-3-10-18-39)60-52(64-54)40-19-11-4-12-20-40;1-3-11-37(12-4-1)57-45-17-9-7-15-43(45)55-49(57)35-23-19-33(20-24-35)47-39-31-51-29-27-41(39)54-48(40-32-52-30-28-42(40)53-47)34-21-25-36(26-22-34)50-56-44-16-8-10-18-46(44)58(50)38-13-5-2-6-14-38;1-3-7-27(8-4-1)37-45-39(49-47-37)29-15-11-25(12-16-29)35-31-19-21-41-23-33(31)44-36(32-20-22-42-24-34(32)43-35)26-13-17-30(18-14-26)40-46-38(48-50-40)28-9-5-2-6-10-28;1-3-7-27(8-4-1)37-45-47-39(49-37)29-15-11-25(12-16-29)35-31-19-21-41-23-33(31)44-36(32-20-22-42-24-34(32)43-35)26-13-17-30(18-14-26)40-48-46-38(50-40)28-9-5-2-6-10-28;1-3-7-23(8-4-1)25-11-17-37-29(19-25)33-27-13-15-35-21-31(27)40-34(28-14-16-36-22-32(28)39-33)30-20-26(12-18-38-30)24-9-5-2-6-10-24/h1-34H;1-32H;1-24H,(H,45,47,49)(H,46,48,50);1-24H;1-22H/b47-43-,48-44-,57-46-,57-47-,58-45-,58-48-;47-39-,48-40-,53-42-,53-47-,54-41-,54-48-;2*35-31-,36-32-,43-34-,43-35-,44-33-,44-36-;33-27-,34-28-,39-32-,39-33+,40-31-,40-34+
InChIKeyLXWOSROLHNOKMF-ZVAUSMHLSA-N
XLogP46.49
TPSA552.24 Ų
H-Bond Donors2
H-Bond Acceptors42
Rotatable Bonds30
Heavy Atoms262
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003377.79
LogP ≤ 546.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1042

Analyze 3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6,10,14-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6,10,14-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6,10,14-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole (CID 159488483) is 3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6,10,14-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6,10,14-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6,10,14-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole is c1ccc(-c2ccnc(/C3=N/c4cnccc4/C(c4cc(-c5ccccc5)ccn4)=N\c4cnccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(/C4=N/c5cnccc5/C(c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)=N\c5cnccc54)cc3)n2)cc1.c1ccc(-c2nnc(-c3ccc(/C4=N/c5cnccc5/C(c5ccc(-c6nnc(-c7ccccc7)[nH]6)cc5)=N\c5cnccc54)cc3)[nH]2)cc1.c1ccc(-c2nnc(-c3ccc(/C4=N/c5cnccc5/C(c5ccc(-c6nnc(-c7ccccc7)o6)cc5)=N\c5cnccc54)cc3)o2)cc1.c1ccc(-n2c(-c3ccc(/C4=N/c5ccncc5/C(c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)=N\c5ccncc54)cc3)nc3ccccc32)cc1.
What is the InChIKey of 3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6,10,14-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is LXWOSROLHNOKMF-ZVAUSMHLSA-N. The full InChI is InChI=1S/C54H34N10.C50H32N8.C40H26N10.C40H24N8O2.C34H22N6/c1-5-13-37(14-6-1)49-59-50(38-15-7-2-8-16-38)62-53(61-49)41-25-21-35(22-26-41)47-43-29-31-55-33-45(43)58-48(44-30-32-56-34-46(44)57-47)36-23-27-42(28-24-36)54-63-51(39-17-9-3-10-18-39)60-52(64-54)40-19-11-4-12-20-40;1-3-11-37(12-4-1)57-45-17-9-7-15-43(45)55-49(57)35-23-19-33(20-24-35)47-39-31-51-29-27-41(39)54-48(40-32-52-30-28-42(40)53-47)34-21-25-36(26-22-34)50-56-44-16-8-10-18-46(44)58(50)38-13-5-2-6-14-38;1-3-7-27(8-4-1)37-45-39(49-47-37)29-15-11-25(12-16-29)35-31-19-21-41-23-33(31)44-36(32-20-22-42-24-34(32)43-35)26-13-17-30(18-14-26)40-46-38(48-50-40)28-9-5-2-6-10-28;1-3-7-27(8-4-1)37-45-47-39(49-37)29-15-11-25(12-16-29)35-31-19-21-41-23-33(31)44-36(32-20-22-42-24-34(32)43-35)26-13-17-30(18-14-26)40-48-46-38(50-40)28-9-5-2-6-10-28;1-3-7-23(8-4-1)25-11-17-37-29(19-25)33-27-13-15-35-21-31(27)40-34(28-14-16-36-22-32(28)39-33)30-20-26(12-18-38-30)24-9-5-2-6-10-24/h1-34H;1-32H;1-24H,(H,45,47,49)(H,46,48,50);1-24H;1-22H/b47-43-,48-44-,57-46-,57-47-,58-45-,58-48-;47-39-,48-40-,53-42-,53-47-,54-41-,54-48-;2*35-31-,36-32-,43-34-,43-35-,44-33-,44-36-;33-27-,34-28-,39-32-,39-33+,40-31-,40-34+.
What are the key properties of 3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6,10,14-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole?
3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6,10,14-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 3377.79 g/mol, XLogP of 46.49, 30 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6,10,14-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,7,10,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 159488483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).