5-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-dibenzothiophen-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;9-dibenzothiophen-2-yl-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene 19,19-dioxide;5-(2,6-diphenyl-4-pyridinyl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-phenyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-pyridin-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one

C293H172N26O11S4 — CID 158589977

About 5-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-dibenzothiophen-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;9-dibenzothiophen-2-yl-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene 19,19-dioxide;5-(2,6-diphenyl-4-pyridinyl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-phenyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-pyridin-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one

5-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-dibenzothiophen-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;9-dibenzothiophen-2-yl-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene 19,19-dioxide;5-(2,6-diphenyl-4-pyridinyl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-phenyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-pyridin-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one (PubChem CID 158589977) has the molecular formula C293H172N26O11S4 and a molecular weight of 4361.04 g/mol. Its IUPAC name is 5-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-dibenzothiophen-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;9-dibenzothiophen-2-yl-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene 19,19-dioxide;5-(2,6-diphenyl-4-pyridinyl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-phenyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-pyridin-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one.

Molecular Properties

• Compound Name: 5-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-dibenzothiophen-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;9-dibenzothiophen-2-yl-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene 19,19-dioxide;5-(2,6-diphenyl-4-pyridinyl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-phenyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-pyridin-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one
• PubChem CID: 158589977
• Molecular Formula: C293H172N26O11S4
• Molecular Weight: 4361.04 g/mol
• Exact Mass: 4357.26
• IUPAC Name: 5-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-dibenzothiophen-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;9-dibenzothiophen-2-yl-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene 19,19-dioxide;5-(2,6-diphenyl-4-pyridinyl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-phenyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-pyridin-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one
• SMILES: O=S1(=O)c2ccccc2-c2ccc(-c3ccc4sc5ccccc5c4c3)c3c4ccccc4n1c23.O=S1(=O)c2ccccc2-c2cccc3c4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc4n1c23.O=c1c2ccccc2c2nccc3c4cc(-c5cc(-c6cccc(-c7ccccc7)c6)cc(-c6cccc(-c7ccccc7)c6)c5)ccc4n1c32.O=c1c2ccccc2c2nccc3c4cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc4n1c32.O=c1c2ccccc2c2nccc3c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc4n1c32.O=c1c2ccccc2c2nccc3c4cc(-c5ccc6sc7ccccc7c6c5)ccc4n1c32.O=c1c2ccccc2c2nccc3c4cc(-c5ccccc5)ccc4n1c32.O=c1c2ccccc2c2nccc3c4cc(-c5ccccn5)ccc4n1c32.O=c1c2ccccc2c2nccc3c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4n1c32
• InChI: InChI=1S/C48H30N2O.C37H22N4O.C35H21N3O.C33H19N5O.C33H20N4O2S.C30H16N2OS.C30H17NO2S2.C24H14N2O.C23H13N3O/c51-48-43-20-8-7-19-41(43)46-47-42(23-24-49-46)44-30-37(21-22-45(44)50(47)48)40-28-38(35-17-9-15-33(25-35)31-11-3-1-4-12-31)27-39(29-40)36-18-10-16-34(26-36)32-13-5-2-6-14-32;42-37-29-11-5-4-10-27(29)34-35-28(20-21-38-34)30-22-25(18-19-32(30)41(35)37)23-14-16-24(17-15-23)36-39-31-12-6-7-13-33(31)40(36)26-8-2-1-3-9-26;39-35-28-14-8-7-13-26(28)33-34-27(17-18-36-33)29-19-24(15-16-32(29)38(34)35)25-20-30(22-9-3-1-4-10-22)37-31(21-25)23-11-5-2-6-12-23;39-33-25-14-8-7-13-23(25)28-29-24(17-18-34-28)26-19-22(15-16-27(26)38(29)33)32-36-30(20-9-3-1-4-10-20)35-31(37-32)21-11-5-2-6-12-21;38-40(39)28-20-8-7-15-23(28)24-16-9-17-25-29-26(18-10-19-27(29)37(40)30(24)25)33-35-31(21-11-3-1-4-12-21)34-32(36-33)22-13-5-2-6-14-22;33-30-22-7-2-1-6-20(22)28-29-21(13-14-31-28)23-15-17(9-11-25(23)32(29)30)18-10-12-27-24(16-18)19-5-3-4-8-26(19)34-27;32-35(33)28-12-6-3-8-21(28)22-15-14-19(29-23-9-1-4-10-25(23)31(35)30(22)29)18-13-16-27-24(17-18)20-7-2-5-11-26(20)34-27;27-24-19-9-5-4-8-17(19)22-23-18(12-13-25-22)20-14-16(10-11-21(20)26(23)24)15-6-2-1-3-7-15;27-23-17-6-2-1-5-15(17)21-22-16(10-12-25-21)18-13-14(8-9-20(18)26(22)23)19-7-3-4-11-24-19/h1-30H;1-22H;1-21H;1-19H;1-20H;1-16H;1-17H;1-14H;1-13H
• InChIKey: HUIAEIQIJMANJJ-UHFFFAOYSA-N
• XLogP: 67.74
• TPSA: 439.67 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 21
• Heavy Atoms: 334
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4361.04
LogP ≤ 5	67.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-dibenzothiophen-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;9-dibenzothiophen-2-yl-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene 19,19-dioxide;5-(2,6-diphenyl-4-pyridinyl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-phenyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-pyridin-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one?

The IUPAC name of 5-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-dibenzothiophen-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;9-dibenzothiophen-2-yl-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene 19,19-dioxide;5-(2,6-diphenyl-4-pyridinyl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-phenyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-pyridin-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one (CID 158589977) is 5-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-dibenzothiophen-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;9-dibenzothiophen-2-yl-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene 19,19-dioxide;5-(2,6-diphenyl-4-pyridinyl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-phenyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-pyridin-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one.

What is the SMILES notation for 5-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-dibenzothiophen-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;9-dibenzothiophen-2-yl-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene 19,19-dioxide;5-(2,6-diphenyl-4-pyridinyl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-phenyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-pyridin-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one?

The canonical SMILES for 5-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-dibenzothiophen-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;9-dibenzothiophen-2-yl-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene 19,19-dioxide;5-(2,6-diphenyl-4-pyridinyl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-phenyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-pyridin-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one is O=S1(=O)c2ccccc2-c2ccc(-c3ccc4sc5ccccc5c4c3)c3c4ccccc4n1c23.O=S1(=O)c2ccccc2-c2cccc3c4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc4n1c23.O=c1c2ccccc2c2nccc3c4cc(-c5cc(-c6cccc(-c7ccccc7)c6)cc(-c6cccc(-c7ccccc7)c6)c5)ccc4n1c32.O=c1c2ccccc2c2nccc3c4cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc4n1c32.O=c1c2ccccc2c2nccc3c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc4n1c32.O=c1c2ccccc2c2nccc3c4cc(-c5ccc6sc7ccccc7c6c5)ccc4n1c32.O=c1c2ccccc2c2nccc3c4cc(-c5ccccc5)ccc4n1c32.O=c1c2ccccc2c2nccc3c4cc(-c5ccccn5)ccc4n1c32.O=c1c2ccccc2c2nccc3c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4n1c32.

What is the InChIKey of 5-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-dibenzothiophen-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;9-dibenzothiophen-2-yl-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene 19,19-dioxide;5-(2,6-diphenyl-4-pyridinyl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-phenyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-pyridin-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one?

The InChIKey is HUIAEIQIJMANJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O.C37H22N4O.C35H21N3O.C33H19N5O.C33H20N4O2S.C30H16N2OS.C30H17NO2S2.C24H14N2O.C23H13N3O/c51-48-43-20-8-7-19-41(43)46-47-42(23-24-49-46)44-30-37(21-22-45(44)50(47)48)40-28-38(35-17-9-15-33(25-35)31-11-3-1-4-12-31)27-39(29-40)36-18-10-16-34(26-36)32-13-5-2-6-14-32;42-37-29-11-5-4-10-27(29)34-35-28(20-21-38-34)30-22-25(18-19-32(30)41(35)37)23-14-16-24(17-15-23)36-39-31-12-6-7-13-33(31)40(36)26-8-2-1-3-9-26;39-35-28-14-8-7-13-26(28)33-34-27(17-18-36-33)29-19-24(15-16-32(29)38(34)35)25-20-30(22-9-3-1-4-10-22)37-31(21-25)23-11-5-2-6-12-23;39-33-25-14-8-7-13-23(25)28-29-24(17-18-34-28)26-19-22(15-16-27(26)38(29)33)32-36-30(20-9-3-1-4-10-20)35-31(37-32)21-11-5-2-6-12-21;38-40(39)28-20-8-7-15-23(28)24-16-9-17-25-29-26(18-10-19-27(29)37(40)30(24)25)33-35-31(21-11-3-1-4-12-21)34-32(36-33)22-13-5-2-6-14-22;33-30-22-7-2-1-6-20(22)28-29-21(13-14-31-28)23-15-17(9-11-25(23)32(29)30)18-10-12-27-24(16-18)19-5-3-4-8-26(19)34-27;32-35(33)28-12-6-3-8-21(28)22-15-14-19(29-23-9-1-4-10-25(23)31(35)30(22)29)18-13-16-27-24(17-18)20-7-2-5-11-26(20)34-27;27-24-19-9-5-4-8-17(19)22-23-18(12-13-25-22)20-14-16(10-11-21(20)26(23)24)15-6-2-1-3-7-15;27-23-17-6-2-1-5-15(17)21-22-16(10-12-25-21)18-13-14(8-9-20(18)26(22)23)19-7-3-4-11-24-19/h1-30H;1-22H;1-21H;1-19H;1-20H;1-16H;1-17H;1-14H;1-13H.

What are the key properties of 5-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-dibenzothiophen-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;9-dibenzothiophen-2-yl-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene 19,19-dioxide;5-(2,6-diphenyl-4-pyridinyl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-phenyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-pyridin-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one?

5-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-dibenzothiophen-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;9-dibenzothiophen-2-yl-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene 19,19-dioxide;5-(2,6-diphenyl-4-pyridinyl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-phenyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-pyridin-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one has a molecular weight of 4361.04 g/mol, XLogP of 67.74, 21 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-dibenzothiophen-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;9-dibenzothiophen-2-yl-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene 19,19-dioxide;5-(2,6-diphenyl-4-pyridinyl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-phenyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;5-pyridin-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one is sourced from PubChem (CID 158589977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).