12-(3,5-diphenylphenyl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;8,22-diphenyl-12-(2-phenylpyrimidin-4-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(2,6-diphenylpyrimidin-4-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene

C401H267N33 — CID 162211209

About 12-(3,5-diphenylphenyl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;8,22-diphenyl-12-(2-phenylpyrimidin-4-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(2,6-diphenylpyrimidin-4-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene

12-(3,5-diphenylphenyl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;8,22-diphenyl-12-(2-phenylpyrimidin-4-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(2,6-diphenylpyrimidin-4-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene (PubChem CID 162211209) has the molecular formula C401H267N33 and a molecular weight of 5547.78 g/mol. Its IUPAC name is 12-(3,5-diphenylphenyl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;8,22-diphenyl-12-(2-phenylpyrimidin-4-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(2,6-diphenylpyrimidin-4-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene.

Molecular Properties

• Compound Name: 12-(3,5-diphenylphenyl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;8,22-diphenyl-12-(2-phenylpyrimidin-4-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(2,6-diphenylpyrimidin-4-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene
• PubChem CID: 162211209
• Molecular Formula: C401H267N33
• Molecular Weight: 5547.78 g/mol
• Exact Mass: 5543.19
• IUPAC Name: 12-(3,5-diphenylphenyl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;8,22-diphenyl-12-(2-phenylpyrimidin-4-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(2,6-diphenylpyrimidin-4-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene
• SMILES: c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)-c4c(n(-c6ccccc6)c6ccccc46)-c4ccccc4N5c4ccccc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)-c3c(n(-c5ccccc5)c5ccccc35)-c3ccccc3N4c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)-c4c(n(-c6ccccc6)c6ccccc46)-c4ccccc4N5c4ccccc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3c(n(-c5ccccc5)c5ccccc35)-c3ccccc3N4c3ccccc3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)-c4c(n(-c6ccccc6)c6ccccc46)-c4ccccc4N5c4ccccc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3c(n(-c5ccccc5)c5ccccc35)-c3ccccc3N4c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)-c4c(n(-c6ccccc6)c6ccccc46)-c4ccccc4N5c4ccccc4)c3)n2)cc1.c1ccc(-c2nccc(-c3ccc4c(c3)-c3c(n(-c5ccccc5)c5ccccc35)-c3ccccc3N4c3ccccc3)n2)cc1
• InChI: InChI=1S/2C54H36N4.2C53H35N5.C50H34N2.C48H32N4.C47H31N5.C42H28N4/c1-5-18-37(19-6-1)47-36-48(56-54(55-47)38-20-7-2-8-21-38)41-23-17-22-39(34-41)40-32-33-51-46(35-40)52-44-28-13-15-30-49(44)58(43-26-11-4-12-27-43)53(52)45-29-14-16-31-50(45)57(51)42-24-9-3-10-25-42;1-5-17-38(18-6-1)47-36-48(56-54(55-47)40-19-7-2-8-20-40)39-31-29-37(30-32-39)41-33-34-51-46(35-41)52-44-25-13-15-27-49(44)58(43-23-11-4-12-24-43)53(52)45-26-14-16-28-50(45)57(51)42-21-9-3-10-22-42;1-5-18-36(19-6-1)51-54-52(37-20-7-2-8-21-37)56-53(55-51)40-23-17-22-38(34-40)39-32-33-48-45(35-39)49-43-28-13-15-30-46(43)58(42-26-11-4-12-27-42)50(49)44-29-14-16-31-47(44)57(48)41-24-9-3-10-25-41;1-5-17-37(18-6-1)51-54-52(38-19-7-2-8-20-38)56-53(55-51)39-31-29-36(30-32-39)40-33-34-48-45(35-40)49-43-25-13-15-27-46(43)58(42-23-11-4-12-24-42)50(49)44-26-14-16-28-47(44)57(48)41-21-9-3-10-22-41;1-5-17-35(18-6-1)38-31-39(36-19-7-2-8-20-36)33-40(32-38)37-29-30-48-45(34-37)49-43-25-13-15-27-46(43)52(42-23-11-4-12-24-42)50(49)44-26-14-16-28-47(44)51(48)41-21-9-3-10-22-41;1-5-17-33(18-6-1)41-32-42(50-48(49-41)34-19-7-2-8-20-34)35-29-30-45-40(31-35)46-38-25-13-15-27-43(38)52(37-23-11-4-12-24-37)47(46)39-26-14-16-28-44(39)51(45)36-21-9-3-10-22-36;1-5-17-32(18-6-1)45-48-46(33-19-7-2-8-20-33)50-47(49-45)34-29-30-42-39(31-34)43-37-25-13-15-27-40(37)52(36-23-11-4-12-24-36)44(43)38-26-14-16-28-41(38)51(42)35-21-9-3-10-22-35;1-4-14-29(15-5-1)42-43-27-26-36(44-42)30-24-25-39-35(28-30)40-33-20-10-12-22-37(33)46(32-18-8-3-9-19-32)41(40)34-21-11-13-23-38(34)45(39)31-16-6-2-7-17-31/h2*1-36H;2*1-35H;1-34H;1-32H;1-31H;1-28H
• InChIKey: ZSWGBIHTLKQORB-UHFFFAOYSA-N
• XLogP: 104.71
• TPSA: 284.49 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 43
• Heavy Atoms: 434
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5547.78
LogP ≤ 5	104.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 12-(3,5-diphenylphenyl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;8,22-diphenyl-12-(2-phenylpyrimidin-4-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(2,6-diphenylpyrimidin-4-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene?

The IUPAC name of 12-(3,5-diphenylphenyl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;8,22-diphenyl-12-(2-phenylpyrimidin-4-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(2,6-diphenylpyrimidin-4-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene (CID 162211209) is 12-(3,5-diphenylphenyl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;8,22-diphenyl-12-(2-phenylpyrimidin-4-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(2,6-diphenylpyrimidin-4-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene.

What is the SMILES notation for 12-(3,5-diphenylphenyl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;8,22-diphenyl-12-(2-phenylpyrimidin-4-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(2,6-diphenylpyrimidin-4-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene?

The canonical SMILES for 12-(3,5-diphenylphenyl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;8,22-diphenyl-12-(2-phenylpyrimidin-4-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(2,6-diphenylpyrimidin-4-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene is c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)-c4c(n(-c6ccccc6)c6ccccc46)-c4ccccc4N5c4ccccc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)-c3c(n(-c5ccccc5)c5ccccc35)-c3ccccc3N4c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)-c4c(n(-c6ccccc6)c6ccccc46)-c4ccccc4N5c4ccccc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3c(n(-c5ccccc5)c5ccccc35)-c3ccccc3N4c3ccccc3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)-c4c(n(-c6ccccc6)c6ccccc46)-c4ccccc4N5c4ccccc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3c(n(-c5ccccc5)c5ccccc35)-c3ccccc3N4c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)-c4c(n(-c6ccccc6)c6ccccc46)-c4ccccc4N5c4ccccc4)c3)n2)cc1.c1ccc(-c2nccc(-c3ccc4c(c3)-c3c(n(-c5ccccc5)c5ccccc35)-c3ccccc3N4c3ccccc3)n2)cc1.

What is the InChIKey of 12-(3,5-diphenylphenyl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;8,22-diphenyl-12-(2-phenylpyrimidin-4-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(2,6-diphenylpyrimidin-4-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene?

The InChIKey is ZSWGBIHTLKQORB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H36N4.2C53H35N5.C50H34N2.C48H32N4.C47H31N5.C42H28N4/c1-5-18-37(19-6-1)47-36-48(56-54(55-47)38-20-7-2-8-21-38)41-23-17-22-39(34-41)40-32-33-51-46(35-40)52-44-28-13-15-30-49(44)58(43-26-11-4-12-27-43)53(52)45-29-14-16-31-50(45)57(51)42-24-9-3-10-25-42;1-5-17-38(18-6-1)47-36-48(56-54(55-47)40-19-7-2-8-20-40)39-31-29-37(30-32-39)41-33-34-51-46(35-41)52-44-25-13-15-27-49(44)58(43-23-11-4-12-24-43)53(52)45-26-14-16-28-50(45)57(51)42-21-9-3-10-22-42;1-5-18-36(19-6-1)51-54-52(37-20-7-2-8-21-37)56-53(55-51)40-23-17-22-38(34-40)39-32-33-48-45(35-39)49-43-28-13-15-30-46(43)58(42-26-11-4-12-27-42)50(49)44-29-14-16-31-47(44)57(48)41-24-9-3-10-25-41;1-5-17-37(18-6-1)51-54-52(38-19-7-2-8-20-38)56-53(55-51)39-31-29-36(30-32-39)40-33-34-48-45(35-40)49-43-25-13-15-27-46(43)58(42-23-11-4-12-24-42)50(49)44-26-14-16-28-47(44)57(48)41-21-9-3-10-22-41;1-5-17-35(18-6-1)38-31-39(36-19-7-2-8-20-36)33-40(32-38)37-29-30-48-45(34-37)49-43-25-13-15-27-46(43)52(42-23-11-4-12-24-42)50(49)44-26-14-16-28-47(44)51(48)41-21-9-3-10-22-41;1-5-17-33(18-6-1)41-32-42(50-48(49-41)34-19-7-2-8-20-34)35-29-30-45-40(31-35)46-38-25-13-15-27-43(38)52(37-23-11-4-12-24-37)47(46)39-26-14-16-28-44(39)51(45)36-21-9-3-10-22-36;1-5-17-32(18-6-1)45-48-46(33-19-7-2-8-20-33)50-47(49-45)34-29-30-42-39(31-34)43-37-25-13-15-27-40(37)52(36-23-11-4-12-24-36)44(43)38-26-14-16-28-41(38)51(42)35-21-9-3-10-22-35;1-4-14-29(15-5-1)42-43-27-26-36(44-42)30-24-25-39-35(28-30)40-33-20-10-12-22-37(33)46(32-18-8-3-9-19-32)41(40)34-21-11-13-23-38(34)45(39)31-16-6-2-7-17-31/h2*1-36H;2*1-35H;1-34H;1-32H;1-31H;1-28H.

What are the key properties of 12-(3,5-diphenylphenyl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;8,22-diphenyl-12-(2-phenylpyrimidin-4-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(2,6-diphenylpyrimidin-4-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene?

12-(3,5-diphenylphenyl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;8,22-diphenyl-12-(2-phenylpyrimidin-4-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(2,6-diphenylpyrimidin-4-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene has a molecular weight of 5547.78 g/mol, XLogP of 104.71, 43 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(3,5-diphenylphenyl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;8,22-diphenyl-12-(2-phenylpyrimidin-4-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(2,6-diphenylpyrimidin-4-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene is sourced from PubChem (CID 162211209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).