5,10-bis(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-(4-carbazol-9-ylphenyl)-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-isocyanophenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-naphthalen-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-pyren-1-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;5-(6-pyridin-2-yl-2-pyridinyl)-10-quinolin-2-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene

C332H202N34 — CID 158718829

About 5,10-bis(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-(4-carbazol-9-ylphenyl)-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-isocyanophenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-naphthalen-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-pyren-1-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;5-(6-pyridin-2-yl-2-pyridinyl)-10-quinolin-2-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene

5,10-bis(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-(4-carbazol-9-ylphenyl)-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-isocyanophenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-naphthalen-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-pyren-1-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;5-(6-pyridin-2-yl-2-pyridinyl)-10-quinolin-2-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene (PubChem CID 158718829) has the molecular formula C332H202N34 and a molecular weight of 4667.51 g/mol. Its IUPAC name is 5,10-bis(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-(4-carbazol-9-ylphenyl)-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-isocyanophenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-naphthalen-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-pyren-1-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;5-(6-pyridin-2-yl-2-pyridinyl)-10-quinolin-2-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene.

Molecular Properties

• Compound Name: 5,10-bis(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-(4-carbazol-9-ylphenyl)-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-isocyanophenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-naphthalen-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-pyren-1-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;5-(6-pyridin-2-yl-2-pyridinyl)-10-quinolin-2-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
• PubChem CID: 158718829
• Molecular Formula: C332H202N34
• Molecular Weight: 4667.51 g/mol
• Exact Mass: 4663.69
• IUPAC Name: 5,10-bis(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-(4-carbazol-9-ylphenyl)-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-isocyanophenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-naphthalen-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-pyren-1-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;5-(6-pyridin-2-yl-2-pyridinyl)-10-quinolin-2-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
• SMILES: [C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4cccc(-c5ccccn5)n4)ccc2c2nc4ccccc4n32)cc1.c1ccc(-c2ccc3c(c2)c2ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc2n2c4ccccc4nc32)cc1.c1ccc(-c2ccc3c(c2)c2ccc(-n4c5ccccc5c5ccccc54)cc2n2c4ccccc4nc32)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccc7ccccc7c6)cc5)ccc3n3c5ccccc5nc43)n2)nc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc3n3c5ccccc5nc43)n2)nc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5ccc6ccccc6n5)ccc3n3c5ccccc5nc43)n2)nc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(-c6ccccn6)n5)ccc3n3c5ccccc5nc43)n2)nc1.c1ccc2c(c1)nc1c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3c3ccc(-n4c5ccccc5c5ccccc54)cc3n21
• InChI: InChI=1S/C49H30N4.C45H26N4.C45H28N4.C43H27N3.C39H24N6.C38H23N5.C37H23N3.C36H21N5/c1-6-16-43-35(11-1)36-12-2-7-17-44(36)51(43)33-24-21-31(22-25-33)32-23-27-40-41(29-32)39-28-26-34(30-48(39)53-47-20-10-5-15-42(47)50-49(40)53)52-45-18-8-3-13-37(45)38-14-4-9-19-46(38)52;1-2-13-42-40(10-1)48-45-34-22-18-31(37-11-6-12-39(47-37)38-9-3-4-24-46-38)26-35(34)36-25-30(19-23-41(36)49(42)45)32-20-16-29-15-14-27-7-5-8-28-17-21-33(32)44(29)43(27)28;1-2-9-32-26-33(20-19-29(32)8-1)30-15-17-31(18-16-30)34-22-24-43-38(27-34)37-28-35(39-12-7-13-41(47-39)40-10-5-6-25-46-40)21-23-36(37)45-48-42-11-3-4-14-44(42)49(43)45;1-2-10-28(11-3-1)30-21-25-36-37(26-30)35-24-20-31(27-42(35)46-41-17-9-6-14-38(41)44-43(36)46)29-18-22-32(23-19-29)45-39-15-7-4-12-33(39)34-13-5-8-16-40(34)45;1-2-16-38-36(11-1)44-39-27-19-17-25(30-12-7-14-34(42-30)32-9-3-5-21-40-32)23-28(27)29-24-26(18-20-37(29)45(38)39)31-13-8-15-35(43-31)33-10-4-6-22-41-33;1-2-9-30-24(8-1)16-19-32(40-30)26-17-20-36-29(23-26)28-22-25(31-12-7-13-34(41-31)33-10-5-6-21-39-33)15-18-27(28)38-42-35-11-3-4-14-37(35)43(36)38;1-2-10-24(11-3-1)25-18-20-30-31(22-25)29-21-19-26(23-36(29)40-35-17-9-6-14-32(35)38-37(30)40)39-33-15-7-4-12-27(33)28-13-5-8-16-34(28)39;1-37-26-16-12-23(13-17-26)24-15-19-34-29(21-24)28-22-25(30-9-6-10-32(39-30)31-7-4-5-20-38-31)14-18-27(28)36-40-33-8-2-3-11-35(33)41(34)36/h1-30H;1-26H;1-28H;1-27H;1-24H;1-23H;1-23H;2-22H
• InChIKey: IJQQKRFGQSWTNY-UHFFFAOYSA-N
• XLogP: 83.64
• TPSA: 330.05 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 25
• Heavy Atoms: 366
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4667.51
LogP ≤ 5	83.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 5,10-bis(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-(4-carbazol-9-ylphenyl)-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-isocyanophenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-naphthalen-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-pyren-1-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;5-(6-pyridin-2-yl-2-pyridinyl)-10-quinolin-2-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene?

The IUPAC name of 5,10-bis(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-(4-carbazol-9-ylphenyl)-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-isocyanophenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-naphthalen-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-pyren-1-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;5-(6-pyridin-2-yl-2-pyridinyl)-10-quinolin-2-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene (CID 158718829) is 5,10-bis(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-(4-carbazol-9-ylphenyl)-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-isocyanophenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-naphthalen-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-pyren-1-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;5-(6-pyridin-2-yl-2-pyridinyl)-10-quinolin-2-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene.

What is the SMILES notation for 5,10-bis(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-(4-carbazol-9-ylphenyl)-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-isocyanophenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-naphthalen-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-pyren-1-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;5-(6-pyridin-2-yl-2-pyridinyl)-10-quinolin-2-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene?

The canonical SMILES for 5,10-bis(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-(4-carbazol-9-ylphenyl)-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-isocyanophenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-naphthalen-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-pyren-1-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;5-(6-pyridin-2-yl-2-pyridinyl)-10-quinolin-2-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene is [C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4cccc(-c5ccccn5)n4)ccc2c2nc4ccccc4n32)cc1.c1ccc(-c2ccc3c(c2)c2ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc2n2c4ccccc4nc32)cc1.c1ccc(-c2ccc3c(c2)c2ccc(-n4c5ccccc5c5ccccc54)cc2n2c4ccccc4nc32)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccc7ccccc7c6)cc5)ccc3n3c5ccccc5nc43)n2)nc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc3n3c5ccccc5nc43)n2)nc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5ccc6ccccc6n5)ccc3n3c5ccccc5nc43)n2)nc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(-c6ccccn6)n5)ccc3n3c5ccccc5nc43)n2)nc1.c1ccc2c(c1)nc1c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3c3ccc(-n4c5ccccc5c5ccccc54)cc3n21.

What is the InChIKey of 5,10-bis(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-(4-carbazol-9-ylphenyl)-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-isocyanophenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-naphthalen-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-pyren-1-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;5-(6-pyridin-2-yl-2-pyridinyl)-10-quinolin-2-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene?

The InChIKey is IJQQKRFGQSWTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4.C45H26N4.C45H28N4.C43H27N3.C39H24N6.C38H23N5.C37H23N3.C36H21N5/c1-6-16-43-35(11-1)36-12-2-7-17-44(36)51(43)33-24-21-31(22-25-33)32-23-27-40-41(29-32)39-28-26-34(30-48(39)53-47-20-10-5-15-42(47)50-49(40)53)52-45-18-8-3-13-37(45)38-14-4-9-19-46(38)52;1-2-13-42-40(10-1)48-45-34-22-18-31(37-11-6-12-39(47-37)38-9-3-4-24-46-38)26-35(34)36-25-30(19-23-41(36)49(42)45)32-20-16-29-15-14-27-7-5-8-28-17-21-33(32)44(29)43(27)28;1-2-9-32-26-33(20-19-29(32)8-1)30-15-17-31(18-16-30)34-22-24-43-38(27-34)37-28-35(39-12-7-13-41(47-39)40-10-5-6-25-46-40)21-23-36(37)45-48-42-11-3-4-14-44(42)49(43)45;1-2-10-28(11-3-1)30-21-25-36-37(26-30)35-24-20-31(27-42(35)46-41-17-9-6-14-38(41)44-43(36)46)29-18-22-32(23-19-29)45-39-15-7-4-12-33(39)34-13-5-8-16-40(34)45;1-2-16-38-36(11-1)44-39-27-19-17-25(30-12-7-14-34(42-30)32-9-3-5-21-40-32)23-28(27)29-24-26(18-20-37(29)45(38)39)31-13-8-15-35(43-31)33-10-4-6-22-41-33;1-2-9-30-24(8-1)16-19-32(40-30)26-17-20-36-29(23-26)28-22-25(31-12-7-13-34(41-31)33-10-5-6-21-39-33)15-18-27(28)38-42-35-11-3-4-14-37(35)43(36)38;1-2-10-24(11-3-1)25-18-20-30-31(22-25)29-21-19-26(23-36(29)40-35-17-9-6-14-32(35)38-37(30)40)39-33-15-7-4-12-27(33)28-13-5-8-16-34(28)39;1-37-26-16-12-23(13-17-26)24-15-19-34-29(21-24)28-22-25(30-9-6-10-32(39-30)31-7-4-5-20-38-31)14-18-27(28)36-40-33-8-2-3-11-35(33)41(34)36/h1-30H;1-26H;1-28H;1-27H;1-24H;1-23H;1-23H;2-22H.

What are the key properties of 5,10-bis(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-(4-carbazol-9-ylphenyl)-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-isocyanophenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-naphthalen-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-pyren-1-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;5-(6-pyridin-2-yl-2-pyridinyl)-10-quinolin-2-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene?

5,10-bis(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-(4-carbazol-9-ylphenyl)-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-isocyanophenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-naphthalen-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-pyren-1-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;5-(6-pyridin-2-yl-2-pyridinyl)-10-quinolin-2-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene has a molecular weight of 4667.51 g/mol, XLogP of 83.64, 25 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10-bis(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-carbazol-9-yl-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;11-(4-carbazol-9-ylphenyl)-5-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-isocyanophenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-(4-naphthalen-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;10-pyren-1-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;5-(6-pyridin-2-yl-2-pyridinyl)-10-quinolin-2-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene is sourced from PubChem (CID 158718829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).