22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

C472H314N32 — CID 159696531

About 22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (PubChem CID 159696531) has the molecular formula C472H314N32 and a molecular weight of 6433.93 g/mol. Its IUPAC name is 22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.

Molecular Properties

• Compound Name: 22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
• PubChem CID: 159696531
• Molecular Formula: C472H314N32
• Molecular Weight: 6433.93 g/mol
• Exact Mass: 6428.56
• IUPAC Name: 22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc3)c3ccccc3-4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc3)c3ccccc3-4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c3)c3ccccc3-4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)c3)c3ccccc3-4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c3)c3ccccc3-4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c3)c3ccccc3-4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c3)c3ccccc3-4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3nc(-c5ccccc5)c5ccccc5n3)c3ccccc3-4)c2)cc1
• InChI: InChI=1S/2C61H41N3.3C60H40N4.2C59H39N5.C52H34N4/c1-5-20-42(21-6-1)47-36-48(43-22-7-2-8-23-43)39-51(38-47)64-58-34-17-14-31-53(58)60-52-30-13-16-33-57(52)63(59-35-18-15-32-54(59)61(60)64)50-29-19-28-46(37-50)49-40-55(44-24-9-3-10-25-44)62-56(41-49)45-26-11-4-12-27-45;1-5-20-42(21-6-1)47-36-48(43-22-7-2-8-23-43)39-51(38-47)64-58-34-17-14-31-53(58)60-52-30-13-16-33-57(52)63(59-35-18-15-32-54(59)61(60)64)50-29-19-28-46(37-50)56-41-49(44-24-9-3-10-25-44)40-55(62-56)45-26-11-4-12-27-45;1-5-20-41(21-6-1)46-36-47(42-22-7-2-8-23-42)39-49(38-46)64-56-34-17-14-31-51(56)58-50-30-13-16-33-55(50)63(57-35-18-15-32-52(57)59(58)64)48-29-19-28-45(37-48)54-40-53(43-24-9-3-10-25-43)61-60(62-54)44-26-11-4-12-27-44;1-5-20-41(21-6-1)46-36-47(42-22-7-2-8-23-42)39-49(38-46)64-56-34-17-14-31-51(56)58-50-30-13-16-33-55(50)63(57-35-18-15-32-52(57)59(58)64)48-29-19-28-45(37-48)60-61-53(43-24-9-3-10-25-43)40-54(62-60)44-26-11-4-12-27-44;1-5-19-41(20-6-1)46-37-47(42-21-7-2-8-22-42)39-49(38-46)64-56-31-17-14-28-51(56)58-50-27-13-16-30-55(50)63(57-32-18-15-29-52(57)59(58)64)48-35-33-44(34-36-48)54-40-53(43-23-9-3-10-24-43)61-60(62-54)45-25-11-4-12-26-45;1-5-20-40(21-6-1)45-36-46(41-22-7-2-8-23-41)39-48(38-45)64-53-34-17-14-31-50(53)55-49-30-13-16-33-52(49)63(54-35-18-15-32-51(54)56(55)64)47-29-19-28-44(37-47)59-61-57(42-24-9-3-10-25-42)60-58(62-59)43-26-11-4-12-27-43;1-5-19-40(20-6-1)45-37-46(41-21-7-2-8-22-41)39-48(38-45)64-53-31-17-14-28-50(53)55-49-27-13-16-30-52(49)63(54-32-18-15-29-51(54)56(55)64)47-35-33-44(34-36-47)59-61-57(42-23-9-3-10-24-42)60-58(62-59)43-25-11-4-12-26-43;1-4-18-35(19-5-1)38-32-39(36-20-6-2-7-21-36)34-40(33-38)55-46-29-15-11-25-42(46)49-43-26-12-16-30-47(43)56(48-31-17-13-27-44(48)51(49)55)52-53-45-28-14-10-24-41(45)50(54-52)37-22-8-3-9-23-37/h2*1-41H;3*1-40H;2*1-39H;1-34H
• InChIKey: MXBRQGDJQDDMJU-UHFFFAOYSA-N
• XLogP: 124.80
• TPSA: 271.60 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 54
• Heavy Atoms: 504
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	6433.93
LogP ≤ 5	124.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The IUPAC name of 22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (CID 159696531) is 22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.

What is the SMILES notation for 22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The canonical SMILES for 22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc3)c3ccccc3-4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc3)c3ccccc3-4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c3)c3ccccc3-4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)c3)c3ccccc3-4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c3)c3ccccc3-4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c3)c3ccccc3-4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c3)c3ccccc3-4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3nc(-c5ccccc5)c5ccccc5n3)c3ccccc3-4)c2)cc1.

What is the InChIKey of 22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The InChIKey is MXBRQGDJQDDMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C61H41N3.3C60H40N4.2C59H39N5.C52H34N4/c1-5-20-42(21-6-1)47-36-48(43-22-7-2-8-23-43)39-51(38-47)64-58-34-17-14-31-53(58)60-52-30-13-16-33-57(52)63(59-35-18-15-32-54(59)61(60)64)50-29-19-28-46(37-50)49-40-55(44-24-9-3-10-25-44)62-56(41-49)45-26-11-4-12-27-45;1-5-20-42(21-6-1)47-36-48(43-22-7-2-8-23-43)39-51(38-47)64-58-34-17-14-31-53(58)60-52-30-13-16-33-57(52)63(59-35-18-15-32-54(59)61(60)64)50-29-19-28-46(37-50)56-41-49(44-24-9-3-10-25-44)40-55(62-56)45-26-11-4-12-27-45;1-5-20-41(21-6-1)46-36-47(42-22-7-2-8-23-42)39-49(38-46)64-56-34-17-14-31-51(56)58-50-30-13-16-33-55(50)63(57-35-18-15-32-52(57)59(58)64)48-29-19-28-45(37-48)54-40-53(43-24-9-3-10-25-43)61-60(62-54)44-26-11-4-12-27-44;1-5-20-41(21-6-1)46-36-47(42-22-7-2-8-23-42)39-49(38-46)64-56-34-17-14-31-51(56)58-50-30-13-16-33-55(50)63(57-35-18-15-32-52(57)59(58)64)48-29-19-28-45(37-48)60-61-53(43-24-9-3-10-25-43)40-54(62-60)44-26-11-4-12-27-44;1-5-19-41(20-6-1)46-37-47(42-21-7-2-8-22-42)39-49(38-46)64-56-31-17-14-28-51(56)58-50-27-13-16-30-55(50)63(57-32-18-15-29-52(57)59(58)64)48-35-33-44(34-36-48)54-40-53(43-23-9-3-10-24-43)61-60(62-54)45-25-11-4-12-26-45;1-5-20-40(21-6-1)45-36-46(41-22-7-2-8-23-41)39-48(38-45)64-53-34-17-14-31-50(53)55-49-30-13-16-33-52(49)63(54-35-18-15-32-51(54)56(55)64)47-29-19-28-44(37-47)59-61-57(42-24-9-3-10-25-42)60-58(62-59)43-26-11-4-12-27-43;1-5-19-40(20-6-1)45-37-46(41-21-7-2-8-22-41)39-48(38-45)64-53-31-17-14-28-50(53)55-49-27-13-16-30-52(49)63(54-32-18-15-29-51(54)56(55)64)47-35-33-44(34-36-47)59-61-57(42-23-9-3-10-24-42)60-58(62-59)43-25-11-4-12-26-43;1-4-18-35(19-5-1)38-32-39(36-20-6-2-7-21-36)34-40(33-38)55-46-29-15-11-25-42(46)49-43-26-12-16-30-47(43)56(48-31-17-13-27-44(48)51(49)55)52-53-45-28-14-10-24-41(45)50(54-52)37-22-8-3-9-23-37/h2*1-41H;3*1-40H;2*1-39H;1-34H.

What are the key properties of 22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene has a molecular weight of 6433.93 g/mol, XLogP of 124.80, 54 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is sourced from PubChem (CID 159696531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).