4,10-diphenyl-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;4,11-diphenyl-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-diphenyl-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-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-[4-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-phenyl-10-pyridin-3-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;10-phenyl-5-pyridin-3-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;10-phenyl-5-pyridin-4-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

C283H179N23 — CID 157049333

About 4,10-diphenyl-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;4,11-diphenyl-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-diphenyl-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-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-[4-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-phenyl-10-pyridin-3-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;10-phenyl-5-pyridin-3-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;10-phenyl-5-pyridin-4-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

4,10-diphenyl-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;4,11-diphenyl-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-diphenyl-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-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-[4-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-phenyl-10-pyridin-3-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;10-phenyl-5-pyridin-3-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;10-phenyl-5-pyridin-4-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 157049333) has the molecular formula C283H179N23 and a molecular weight of 3901.71 g/mol. Its IUPAC name is 4,10-diphenyl-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;4,11-diphenyl-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-diphenyl-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-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-[4-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-phenyl-10-pyridin-3-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;10-phenyl-5-pyridin-3-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;10-phenyl-5-pyridin-4-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: 4,10-diphenyl-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;4,11-diphenyl-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-diphenyl-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-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-[4-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-phenyl-10-pyridin-3-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;10-phenyl-5-pyridin-3-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;10-phenyl-5-pyridin-4-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: 157049333
• Molecular Formula: C283H179N23
• Molecular Weight: 3901.71 g/mol
• Exact Mass: 3898.47
• IUPAC Name: 4,10-diphenyl-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;4,11-diphenyl-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-diphenyl-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-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-[4-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-phenyl-10-pyridin-3-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;10-phenyl-5-pyridin-3-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;10-phenyl-5-pyridin-4-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: c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n2c4ccccc4nc32)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4cccnc4)ccc2c2nc4ccccc4n32)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4cccnc4)ccc2n2c4ccccc4nc32)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccncc4)ccc2c2nc4ccccc4n32)cc1.c1ccc(-c2ccc3c(c2)c2ccc(-c4ccccc4)cc2c2nc4ccccc4n32)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n4c5ccccc5nc4c3c2)cc1.c1ccc(-n2c(-c3ccc4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n6c8ccccc8nc76)cc5)ccc4c3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc4cc(-c5ccc6cc(-c7ccc8c(c7)c7ccccc7n7c9ccccc9nc87)ccc6c5)ccc4c3)nc3ccccc32)cc1
• InChI: InChI=1S/C52H32N4.C48H30N4.3C31H20N2.3C30H19N3/c1-2-10-42(11-3-1)55-49-16-8-5-13-46(49)53-51(55)41-25-24-37-29-35(21-23-39(37)31-41)33-18-19-36-30-38(22-20-34(36)28-33)40-26-27-44-45(32-40)43-12-4-7-15-48(43)56-50-17-9-6-14-47(50)54-52(44)56;1-2-10-38(11-3-1)51-45-16-8-5-13-42(45)49-47(51)37-25-24-34-28-33(22-23-35(34)29-37)31-18-20-32(21-19-31)36-26-27-40-41(30-36)39-12-4-7-15-44(39)52-46-17-9-6-14-43(46)50-48(40)52;1-3-9-21(10-4-1)23-15-17-25-26-19-24(22-11-5-2-6-12-22)16-18-29(26)33-30-14-8-7-13-28(30)32-31(33)27(25)20-23;1-3-9-21(10-4-1)23-15-17-25-26(19-23)27-20-24(22-11-5-2-6-12-22)16-18-29(27)33-30-14-8-7-13-28(30)32-31(25)33;1-3-9-21(10-4-1)23-15-17-25-26-18-16-24(22-11-5-2-6-12-22)20-30(26)33-29-14-8-7-13-28(29)32-31(33)27(25)19-23;1-2-7-20(8-3-1)21-13-15-28-26(18-21)25-17-22(23-9-6-16-31-19-23)12-14-24(25)30-32-27-10-4-5-11-29(27)33(28)30;1-2-7-20(8-3-1)21-12-14-24-25(17-21)26-18-22(23-9-6-16-31-19-23)13-15-28(26)33-29-11-5-4-10-27(29)32-30(24)33;1-2-6-20(7-3-1)23-11-13-28-26(19-23)25-18-22(21-14-16-31-17-15-21)10-12-24(25)30-32-27-8-4-5-9-29(27)33(28)30/h1-32H;1-30H;3*1-20H;3*1-19H
• InChIKey: AAAAIYHKLLXFSG-UHFFFAOYSA-N
• XLogP: 72.68
• TPSA: 212.71 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 306
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3901.71
LogP ≤ 5	72.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4,10-diphenyl-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;4,11-diphenyl-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-diphenyl-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-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-[4-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-phenyl-10-pyridin-3-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;10-phenyl-5-pyridin-3-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;10-phenyl-5-pyridin-4-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 4,10-diphenyl-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;4,11-diphenyl-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-diphenyl-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-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-[4-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-phenyl-10-pyridin-3-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;10-phenyl-5-pyridin-3-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;10-phenyl-5-pyridin-4-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 157049333) is 4,10-diphenyl-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;4,11-diphenyl-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-diphenyl-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-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-[4-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-phenyl-10-pyridin-3-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;10-phenyl-5-pyridin-3-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;10-phenyl-5-pyridin-4-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 4,10-diphenyl-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;4,11-diphenyl-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-diphenyl-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-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-[4-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-phenyl-10-pyridin-3-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;10-phenyl-5-pyridin-3-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;10-phenyl-5-pyridin-4-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 4,10-diphenyl-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;4,11-diphenyl-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-diphenyl-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-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-[4-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-phenyl-10-pyridin-3-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;10-phenyl-5-pyridin-3-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;10-phenyl-5-pyridin-4-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 c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n2c4ccccc4nc32)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4cccnc4)ccc2c2nc4ccccc4n32)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4cccnc4)ccc2n2c4ccccc4nc32)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccncc4)ccc2c2nc4ccccc4n32)cc1.c1ccc(-c2ccc3c(c2)c2ccc(-c4ccccc4)cc2c2nc4ccccc4n32)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n4c5ccccc5nc4c3c2)cc1.c1ccc(-n2c(-c3ccc4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n6c8ccccc8nc76)cc5)ccc4c3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc4cc(-c5ccc6cc(-c7ccc8c(c7)c7ccccc7n7c9ccccc9nc87)ccc6c5)ccc4c3)nc3ccccc32)cc1.

What is the InChIKey of 4,10-diphenyl-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;4,11-diphenyl-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-diphenyl-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-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-[4-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-phenyl-10-pyridin-3-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;10-phenyl-5-pyridin-3-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;10-phenyl-5-pyridin-4-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 AAAAIYHKLLXFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4.C48H30N4.3C31H20N2.3C30H19N3/c1-2-10-42(11-3-1)55-49-16-8-5-13-46(49)53-51(55)41-25-24-37-29-35(21-23-39(37)31-41)33-18-19-36-30-38(22-20-34(36)28-33)40-26-27-44-45(32-40)43-12-4-7-15-48(43)56-50-17-9-6-14-47(50)54-52(44)56;1-2-10-38(11-3-1)51-45-16-8-5-13-42(45)49-47(51)37-25-24-34-28-33(22-23-35(34)29-37)31-18-20-32(21-19-31)36-26-27-40-41(30-36)39-12-4-7-15-44(39)52-46-17-9-6-14-43(46)50-48(40)52;1-3-9-21(10-4-1)23-15-17-25-26-19-24(22-11-5-2-6-12-22)16-18-29(26)33-30-14-8-7-13-28(30)32-31(33)27(25)20-23;1-3-9-21(10-4-1)23-15-17-25-26(19-23)27-20-24(22-11-5-2-6-12-22)16-18-29(27)33-30-14-8-7-13-28(30)32-31(25)33;1-3-9-21(10-4-1)23-15-17-25-26-18-16-24(22-11-5-2-6-12-22)20-30(26)33-29-14-8-7-13-28(29)32-31(33)27(25)19-23;1-2-7-20(8-3-1)21-13-15-28-26(18-21)25-17-22(23-9-6-16-31-19-23)12-14-24(25)30-32-27-10-4-5-11-29(27)33(28)30;1-2-7-20(8-3-1)21-12-14-24-25(17-21)26-18-22(23-9-6-16-31-19-23)13-15-28(26)33-29-11-5-4-10-27(29)32-30(24)33;1-2-6-20(7-3-1)23-11-13-28-26(19-23)25-18-22(21-14-16-31-17-15-21)10-12-24(25)30-32-27-8-4-5-9-29(27)33(28)30/h1-32H;1-30H;3*1-20H;3*1-19H.

What are the key properties of 4,10-diphenyl-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;4,11-diphenyl-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-diphenyl-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-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-[4-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-phenyl-10-pyridin-3-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;10-phenyl-5-pyridin-3-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;10-phenyl-5-pyridin-4-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?

4,10-diphenyl-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;4,11-diphenyl-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-diphenyl-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-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-[4-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-phenyl-10-pyridin-3-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;10-phenyl-5-pyridin-3-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;10-phenyl-5-pyridin-4-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 3901.71 g/mol, XLogP of 72.68, 20 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4,10-diphenyl-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;4,11-diphenyl-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-diphenyl-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-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-[4-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-phenyl-10-pyridin-3-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;10-phenyl-5-pyridin-3-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;10-phenyl-5-pyridin-4-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 157049333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).