21-[4-[4-(1,10-phenanthrolin-5-yl)naphthalen-1-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)-3-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)pyrimidin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)quinolin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C458H282N30 — CID 164950632

About 21-[4-[4-(1,10-phenanthrolin-5-yl)naphthalen-1-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)-3-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)pyrimidin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)quinolin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

21-[4-[4-(1,10-phenanthrolin-5-yl)naphthalen-1-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)-3-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)pyrimidin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)quinolin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 164950632) has the molecular formula C458H282N30 and a molecular weight of 6205.50 g/mol. Its IUPAC name is 21-[4-[4-(1,10-phenanthrolin-5-yl)naphthalen-1-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)-3-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)pyrimidin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)quinolin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 21-[4-[4-(1,10-phenanthrolin-5-yl)naphthalen-1-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)-3-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)pyrimidin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)quinolin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• PubChem CID: 164950632
• Molecular Formula: C458H282N30
• Molecular Weight: 6205.50 g/mol
• Exact Mass: 6200.30
• IUPAC Name: 21-[4-[4-(1,10-phenanthrolin-5-yl)naphthalen-1-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)-3-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)pyrimidin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)quinolin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(-c5ccc(-c6ccc(-c7cc8cccnc8c8ncccc78)c7ccccc67)cc5)nc5ccccc5c4cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(-c5ccc(-c6ccc(-c7cc8cccnc8c8ncccc78)c7cccnc67)cc5)nc5ccccc5c4cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(-c5ccc(-c6ccc(-c7cc8cccnc8c8ncccc78)cc6)cc5)nc5ccccc5c4cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(-c5ccc(-c6ccc(-c7cc8cccnc8c8ncccc78)cn6)cc5)nc5ccccc5c4cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(-c5ccc(-c6ccc(-c7cc8cccnc8c8ncccc78)nc6)cc5)nc5ccccc5c4cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(-c5ccc(-c6ccc7cc(-c8cc9cccnc9c9ncccc89)ccc7c6)cc5)nc5ccccc5c4cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(-c5ccc(-c6ccc7cc(-c8cc9cccnc9c9ncccc89)ccc7n6)cc5)nc5ccccc5c4cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(-c5ccc(-c6ncc(-c7cc8cccnc8c8ncccc78)cn6)cc5)nc5ccccc5c4cc32)cc1
• InChI: InChI=1S/2C60H37N3.2C59H36N4.C56H35N3.2C55H34N4.C54H33N5/c1-3-14-45(15-4-1)60(46-16-5-2-6-17-46)54-21-9-7-18-47(54)52-36-53-51(37-55(52)60)48-19-8-10-22-56(48)63-57(53)39-25-23-38(24-26-39)40-27-28-42-34-43(30-29-41(42)33-40)50-35-44-13-11-31-61-58(44)59-49(50)20-12-32-62-59;1-3-16-41(17-4-1)60(42-18-5-2-6-19-42)54-25-11-9-22-47(54)52-36-53-51(37-55(52)60)48-23-10-12-26-56(48)63-57(53)39-29-27-38(28-30-39)43-31-32-46(45-21-8-7-20-44(43)45)50-35-40-15-13-33-61-58(40)59-49(50)24-14-34-62-59;1-3-15-40(16-4-1)59(41-17-5-2-6-18-41)52-23-9-7-19-44(52)50-35-51-49(36-53(50)59)45-20-8-10-24-54(45)63-55(51)38-27-25-37(26-28-38)42-29-30-43(46-21-12-32-61-57(42)46)48-34-39-14-11-31-60-56(39)58-47(48)22-13-33-62-58;1-3-14-42(15-4-1)59(43-16-5-2-6-17-43)51-21-9-7-18-44(51)49-35-50-48(36-52(49)59)45-19-8-10-22-55(45)63-56(50)38-25-23-37(24-26-38)53-30-28-40-33-39(27-29-54(40)62-53)47-34-41-13-11-31-60-57(41)58-46(47)20-12-32-61-58;1-3-14-41(15-4-1)56(42-16-5-2-6-17-42)50-21-9-7-18-43(50)48-34-49-47(35-51(48)56)44-19-8-10-22-52(44)59-53(49)39-29-25-37(26-30-39)36-23-27-38(28-24-36)46-33-40-13-11-31-57-54(40)55-45(46)20-12-32-58-55;1-3-14-39(15-4-1)55(40-16-5-2-6-17-40)48-21-9-7-18-41(48)46-32-47-45(33-49(46)55)42-19-8-10-22-51(42)59-52(47)36-25-23-35(24-26-36)50-28-27-38(34-58-50)44-31-37-13-11-29-56-53(37)54-43(44)20-12-30-57-54;1-3-14-39(15-4-1)55(40-16-5-2-6-17-40)48-21-9-7-18-41(48)45-32-47-44(33-49(45)55)42-19-8-10-22-51(42)59-52(47)36-25-23-35(24-26-36)38-27-28-50(58-34-38)46-31-37-13-11-29-56-53(37)54-43(46)20-12-30-57-54;1-3-14-38(15-4-1)54(39-16-5-2-6-17-39)47-21-9-7-18-40(47)45-30-46-44(31-48(45)54)41-19-8-10-22-49(41)59-50(46)34-23-25-35(26-24-34)53-57-32-37(33-58-53)43-29-36-13-11-27-55-51(36)52-42(43)20-12-28-56-52/h2*1-37H;2*1-36H;1-35H;2*1-34H;1-33H
• InChIKey: AMEBUSIYCGWYHU-UHFFFAOYSA-N
• XLogP: 111.77
• TPSA: 386.70 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 40
• Heavy Atoms: 488
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	6205.50
LogP ≤ 5	111.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 21-[4-[4-(1,10-phenanthrolin-5-yl)naphthalen-1-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)-3-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)pyrimidin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)quinolin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The IUPAC name of 21-[4-[4-(1,10-phenanthrolin-5-yl)naphthalen-1-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)-3-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)pyrimidin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)quinolin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 164950632) is 21-[4-[4-(1,10-phenanthrolin-5-yl)naphthalen-1-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)-3-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)pyrimidin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)quinolin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

What is the SMILES notation for 21-[4-[4-(1,10-phenanthrolin-5-yl)naphthalen-1-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)-3-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)pyrimidin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)quinolin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The canonical SMILES for 21-[4-[4-(1,10-phenanthrolin-5-yl)naphthalen-1-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)-3-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)pyrimidin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)quinolin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(-c5ccc(-c6ccc(-c7cc8cccnc8c8ncccc78)c7ccccc67)cc5)nc5ccccc5c4cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(-c5ccc(-c6ccc(-c7cc8cccnc8c8ncccc78)c7cccnc67)cc5)nc5ccccc5c4cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(-c5ccc(-c6ccc(-c7cc8cccnc8c8ncccc78)cc6)cc5)nc5ccccc5c4cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(-c5ccc(-c6ccc(-c7cc8cccnc8c8ncccc78)cn6)cc5)nc5ccccc5c4cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(-c5ccc(-c6ccc(-c7cc8cccnc8c8ncccc78)nc6)cc5)nc5ccccc5c4cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(-c5ccc(-c6ccc7cc(-c8cc9cccnc9c9ncccc89)ccc7c6)cc5)nc5ccccc5c4cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(-c5ccc(-c6ccc7cc(-c8cc9cccnc9c9ncccc89)ccc7n6)cc5)nc5ccccc5c4cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(-c5ccc(-c6ncc(-c7cc8cccnc8c8ncccc78)cn6)cc5)nc5ccccc5c4cc32)cc1.

What is the InChIKey of 21-[4-[4-(1,10-phenanthrolin-5-yl)naphthalen-1-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)-3-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)pyrimidin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)quinolin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The InChIKey is AMEBUSIYCGWYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H37N3.2C59H36N4.C56H35N3.2C55H34N4.C54H33N5/c1-3-14-45(15-4-1)60(46-16-5-2-6-17-46)54-21-9-7-18-47(54)52-36-53-51(37-55(52)60)48-19-8-10-22-56(48)63-57(53)39-25-23-38(24-26-39)40-27-28-42-34-43(30-29-41(42)33-40)50-35-44-13-11-31-61-58(44)59-49(50)20-12-32-62-59;1-3-16-41(17-4-1)60(42-18-5-2-6-19-42)54-25-11-9-22-47(54)52-36-53-51(37-55(52)60)48-23-10-12-26-56(48)63-57(53)39-29-27-38(28-30-39)43-31-32-46(45-21-8-7-20-44(43)45)50-35-40-15-13-33-61-58(40)59-49(50)24-14-34-62-59;1-3-15-40(16-4-1)59(41-17-5-2-6-18-41)52-23-9-7-19-44(52)50-35-51-49(36-53(50)59)45-20-8-10-24-54(45)63-55(51)38-27-25-37(26-28-38)42-29-30-43(46-21-12-32-61-57(42)46)48-34-39-14-11-31-60-56(39)58-47(48)22-13-33-62-58;1-3-14-42(15-4-1)59(43-16-5-2-6-17-43)51-21-9-7-18-44(51)49-35-50-48(36-52(49)59)45-19-8-10-22-55(45)63-56(50)38-25-23-37(24-26-38)53-30-28-40-33-39(27-29-54(40)62-53)47-34-41-13-11-31-60-57(41)58-46(47)20-12-32-61-58;1-3-14-41(15-4-1)56(42-16-5-2-6-17-42)50-21-9-7-18-43(50)48-34-49-47(35-51(48)56)44-19-8-10-22-52(44)59-53(49)39-29-25-37(26-30-39)36-23-27-38(28-24-36)46-33-40-13-11-31-57-54(40)55-45(46)20-12-32-58-55;1-3-14-39(15-4-1)55(40-16-5-2-6-17-40)48-21-9-7-18-41(48)46-32-47-45(33-49(46)55)42-19-8-10-22-51(42)59-52(47)36-25-23-35(24-26-36)50-28-27-38(34-58-50)44-31-37-13-11-29-56-53(37)54-43(44)20-12-30-57-54;1-3-14-39(15-4-1)55(40-16-5-2-6-17-40)48-21-9-7-18-41(48)45-32-47-44(33-49(45)55)42-19-8-10-22-51(42)59-52(47)36-25-23-35(24-26-36)38-27-28-50(58-34-38)46-31-37-13-11-29-56-53(37)54-43(46)20-12-30-57-54;1-3-14-38(15-4-1)54(39-16-5-2-6-17-39)47-21-9-7-18-40(47)45-30-46-44(31-48(45)54)41-19-8-10-22-49(41)59-50(46)34-23-25-35(26-24-34)53-57-32-37(33-58-53)43-29-36-13-11-27-55-51(36)52-42(43)20-12-28-56-52/h2*1-37H;2*1-36H;1-35H;2*1-34H;1-33H.

What are the key properties of 21-[4-[4-(1,10-phenanthrolin-5-yl)naphthalen-1-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)-3-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)pyrimidin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)quinolin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

21-[4-[4-(1,10-phenanthrolin-5-yl)naphthalen-1-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)-3-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)pyrimidin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)quinolin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 6205.50 g/mol, XLogP of 111.77, 40 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 21-[4-[4-(1,10-phenanthrolin-5-yl)naphthalen-1-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)-3-pyridinyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)pyrimidin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[6-(1,10-phenanthrolin-5-yl)quinolin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 164950632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).