14-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene

C456H288N32 — CID 160910312

About 14-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene

14-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene (PubChem CID 160910312) has the molecular formula C456H288N32 and a molecular weight of 6215.54 g/mol. Its IUPAC name is 14-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 14-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
• PubChem CID: 160910312
• Molecular Formula: C456H288N32
• Molecular Weight: 6215.54 g/mol
• Exact Mass: 6210.35
• IUPAC Name: 14-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5nc6ccccc6c6c5ccc5c6c6ccccc6n5-c5ccccc5)c4)cc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5nc6ccccc6c6c5ccc5c6c6ccccc6n5-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5nc6ccccc6c6c5ccc5c6c6ccccc6n5-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5nc6ccccc6c6c5ccc5c6c6ccccc6n5-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5nc6ccccc6c6c5ccc5c6c6ccccc6n5-c5ccccc5)c4)n3)c2)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2cccc(-c3ccc(-c5nc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)n5)cc3)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2cccc(-c3nc(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)n3)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2cccc(-c3nc(-c5cccc6ccccc56)cc(-c5cccc6ccccc56)n3)c2)nc2ccccc24)cc1
• InChI: InChI=1S/C63H38N4.C61H38N4.2C59H38N4.C55H34N4.3C53H34N4/c1-2-21-43(22-3-1)67-58-32-15-13-30-51(58)61-59(67)34-33-52-60(61)50-29-12-14-31-55(50)64-62(52)41-19-16-20-42(35-41)63-65-56(53-36-39-17-4-6-23-44(39)46-25-8-10-27-48(46)53)38-57(66-63)54-37-40-18-5-7-24-45(40)47-26-9-11-28-49(47)54;1-2-19-49(20-3-1)65-56-24-11-9-22-51(56)59-57(65)34-33-52-58(59)50-21-8-10-23-53(50)62-60(52)48-18-12-17-45(37-48)41-25-29-42(30-26-41)61-63-54(46-31-27-39-13-4-6-15-43(39)35-46)38-55(64-61)47-32-28-40-14-5-7-16-44(40)36-47;1-4-17-39(18-5-1)41-21-14-23-43(35-41)52-38-53(44-24-15-22-42(36-44)40-19-6-2-7-20-40)62-59(61-52)46-26-16-25-45(37-46)58-50-33-34-55-57(56(50)48-29-10-12-31-51(48)60-58)49-30-11-13-32-54(49)63(55)47-27-8-3-9-28-47;1-4-15-39(16-5-1)41-27-31-43(32-28-41)52-38-53(44-33-29-42(30-34-44)40-17-6-2-7-18-40)62-59(61-52)46-20-14-19-45(37-46)58-50-35-36-55-57(56(50)48-23-10-12-25-51(48)60-58)49-24-11-13-26-54(49)63(55)47-21-8-3-9-22-47;1-2-21-39(22-3-1)59-50-30-11-9-26-45(50)53-51(59)32-31-46-52(53)44-25-8-10-29-47(44)56-54(46)37-19-12-20-38(33-37)55-57-48(42-27-13-17-35-15-4-6-23-40(35)42)34-49(58-55)43-28-14-18-36-16-5-7-24-41(36)43;1-4-16-35(17-5-1)37-20-14-21-38(32-37)47-34-46(36-18-6-2-7-19-36)55-53(56-47)40-23-15-22-39(33-40)52-44-30-31-49-51(50(44)42-26-10-12-28-45(42)54-52)43-27-11-13-29-48(43)57(49)41-24-8-3-9-25-41;1-4-15-36(16-5-1)46-34-47(37-17-6-2-7-18-37)56-53(55-46)38-29-27-35(28-30-38)39-19-14-20-40(33-39)52-44-31-32-49-51(50(44)42-23-10-12-25-45(42)54-52)43-24-11-13-26-48(43)57(49)41-21-8-3-9-22-41;1-4-15-35(16-5-1)36-27-29-38(30-28-36)47-34-46(37-17-6-2-7-18-37)55-53(56-47)40-20-14-19-39(33-40)52-44-31-32-49-51(50(44)42-23-10-12-25-45(42)54-52)43-24-11-13-26-48(43)57(49)41-21-8-3-9-22-41/h1-38H;1-38H;2*1-38H;1-34H;3*1-34H
• InChIKey: SQRNSDCRMXVLBM-UHFFFAOYSA-N
• XLogP: 118.11
• TPSA: 348.80 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 48
• Heavy Atoms: 488
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	6215.54
LogP ≤ 5	118.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 14-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The IUPAC name of 14-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene (CID 160910312) is 14-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene.

What is the SMILES notation for 14-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The canonical SMILES for 14-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5nc6ccccc6c6c5ccc5c6c6ccccc6n5-c5ccccc5)c4)cc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5nc6ccccc6c6c5ccc5c6c6ccccc6n5-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5nc6ccccc6c6c5ccc5c6c6ccccc6n5-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5nc6ccccc6c6c5ccc5c6c6ccccc6n5-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5nc6ccccc6c6c5ccc5c6c6ccccc6n5-c5ccccc5)c4)n3)c2)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2cccc(-c3ccc(-c5nc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)n5)cc3)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2cccc(-c3nc(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)n3)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2cccc(-c3nc(-c5cccc6ccccc56)cc(-c5cccc6ccccc56)n3)c2)nc2ccccc24)cc1.

What is the InChIKey of 14-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The InChIKey is SQRNSDCRMXVLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N4.C61H38N4.2C59H38N4.C55H34N4.3C53H34N4/c1-2-21-43(22-3-1)67-58-32-15-13-30-51(58)61-59(67)34-33-52-60(61)50-29-12-14-31-55(50)64-62(52)41-19-16-20-42(35-41)63-65-56(53-36-39-17-4-6-23-44(39)46-25-8-10-27-48(46)53)38-57(66-63)54-37-40-18-5-7-24-45(40)47-26-9-11-28-49(47)54;1-2-19-49(20-3-1)65-56-24-11-9-22-51(56)59-57(65)34-33-52-58(59)50-21-8-10-23-53(50)62-60(52)48-18-12-17-45(37-48)41-25-29-42(30-26-41)61-63-54(46-31-27-39-13-4-6-15-43(39)35-46)38-55(64-61)47-32-28-40-14-5-7-16-44(40)36-47;1-4-17-39(18-5-1)41-21-14-23-43(35-41)52-38-53(44-24-15-22-42(36-44)40-19-6-2-7-20-40)62-59(61-52)46-26-16-25-45(37-46)58-50-33-34-55-57(56(50)48-29-10-12-31-51(48)60-58)49-30-11-13-32-54(49)63(55)47-27-8-3-9-28-47;1-4-15-39(16-5-1)41-27-31-43(32-28-41)52-38-53(44-33-29-42(30-34-44)40-17-6-2-7-18-40)62-59(61-52)46-20-14-19-45(37-46)58-50-35-36-55-57(56(50)48-23-10-12-25-51(48)60-58)49-24-11-13-26-54(49)63(55)47-21-8-3-9-22-47;1-2-21-39(22-3-1)59-50-30-11-9-26-45(50)53-51(59)32-31-46-52(53)44-25-8-10-29-47(44)56-54(46)37-19-12-20-38(33-37)55-57-48(42-27-13-17-35-15-4-6-23-40(35)42)34-49(58-55)43-28-14-18-36-16-5-7-24-41(36)43;1-4-16-35(17-5-1)37-20-14-21-38(32-37)47-34-46(36-18-6-2-7-19-36)55-53(56-47)40-23-15-22-39(33-40)52-44-30-31-49-51(50(44)42-26-10-12-28-45(42)54-52)43-27-11-13-29-48(43)57(49)41-24-8-3-9-25-41;1-4-15-36(16-5-1)46-34-47(37-17-6-2-7-18-37)56-53(55-46)38-29-27-35(28-30-38)39-19-14-20-40(33-39)52-44-31-32-49-51(50(44)42-23-10-12-25-45(42)54-52)43-24-11-13-26-48(43)57(49)41-21-8-3-9-22-41;1-4-15-35(16-5-1)36-27-29-38(30-28-36)47-34-46(37-17-6-2-7-18-37)55-53(56-47)40-20-14-19-39(33-40)52-44-31-32-49-51(50(44)42-23-10-12-25-45(42)54-52)43-24-11-13-26-48(43)57(49)41-21-8-3-9-22-41/h1-38H;1-38H;2*1-38H;1-34H;3*1-34H.

What are the key properties of 14-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

14-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene has a molecular weight of 6215.54 g/mol, XLogP of 118.11, 48 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene is sourced from PubChem (CID 160910312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).