5,10-bis(2,6-diphenyl-4-pyridinyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),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;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;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

C283H168N24O8S — CID 157251838

IUPAC5,10-bis(2,6-diphenyl-4-pyridinyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),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;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;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
SMILESO=c1c2ccccc2c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc3c4cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc4n1c23.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
InChIInChI=1S/C53H33N3O.C48H30N2O.C37H22N4O.C35H21N3O.C33H19N5O.C30H16N2OS.C24H14N2O.C23H13N3O/c57-53-43-24-14-13-23-42(43)45-28-39(41-32-49(36-19-9-3-10-20-36)55-50(33-41)37-21-11-4-12-22-37)29-46-44-27-38(25-26-51(44)56(53)52(45)46)40-30-47(34-15-5-1-6-16-34)54-48(31-40)35-17-7-2-8-18-35;51-48-43-20-8-7-19-41(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;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;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/h1-33H;1-30H;1-22H;1-21H;1-19H;1-16H;1-14H;1-13H
InChIKeyAWKYGWOLENILFL-UHFFFAOYSA-N
MW4064.68 g/mol
LogP65.49
Rot. Bonds23

About 5,10-bis(2,6-diphenyl-4-pyridinyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),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;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;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

5,10-bis(2,6-diphenyl-4-pyridinyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),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;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;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 157251838) has the molecular formula C283H168N24O8S and a molecular weight of 4064.68 g/mol. Its IUPAC name is 5,10-bis(2,6-diphenyl-4-pyridinyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),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;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;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 Name5,10-bis(2,6-diphenyl-4-pyridinyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),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;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;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 CID157251838
Molecular FormulaC283H168N24O8S
Molecular Weight4064.68 g/mol
Exact Mass4061.32
IUPAC Name5,10-bis(2,6-diphenyl-4-pyridinyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),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;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;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
SMILESO=c1c2ccccc2c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc3c4cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc4n1c23.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
InChIInChI=1S/C53H33N3O.C48H30N2O.C37H22N4O.C35H21N3O.C33H19N5O.C30H16N2OS.C24H14N2O.C23H13N3O/c57-53-43-24-14-13-23-42(43)45-28-39(41-32-49(36-19-9-3-10-20-36)55-50(33-41)37-21-11-4-12-22-37)29-46-44-27-38(25-26-51(44)56(53)52(45)46)40-30-47(34-15-5-1-6-16-34)54-48(31-40)35-17-7-2-8-18-35;51-48-43-20-8-7-19-41(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;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;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/h1-33H;1-30H;1-22H;1-21H;1-19H;1-16H;1-14H;1-13H
InChIKeyAWKYGWOLENILFL-UHFFFAOYSA-N
XLogP65.49
TPSA370.12 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds23
Heavy Atoms316
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004064.68
LogP ≤ 565.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 5,10-bis(2,6-diphenyl-4-pyridinyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),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;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;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 with MolForge

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What is the IUPAC name of 5,10-bis(2,6-diphenyl-4-pyridinyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),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;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;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 5,10-bis(2,6-diphenyl-4-pyridinyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),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;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;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 157251838) is 5,10-bis(2,6-diphenyl-4-pyridinyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),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;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;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 5,10-bis(2,6-diphenyl-4-pyridinyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),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;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;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 5,10-bis(2,6-diphenyl-4-pyridinyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),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;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;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=c1c2ccccc2c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc3c4cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc4n1c23.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 5,10-bis(2,6-diphenyl-4-pyridinyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),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;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;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 AWKYGWOLENILFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O.C48H30N2O.C37H22N4O.C35H21N3O.C33H19N5O.C30H16N2OS.C24H14N2O.C23H13N3O/c57-53-43-24-14-13-23-42(43)45-28-39(41-32-49(36-19-9-3-10-20-36)55-50(33-41)37-21-11-4-12-22-37)29-46-44-27-38(25-26-51(44)56(53)52(45)46)40-30-47(34-15-5-1-6-16-34)54-48(31-40)35-17-7-2-8-18-35;51-48-43-20-8-7-19-41(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;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;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/h1-33H;1-30H;1-22H;1-21H;1-19H;1-16H;1-14H;1-13H.
What are the key properties of 5,10-bis(2,6-diphenyl-4-pyridinyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),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;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;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?
5,10-bis(2,6-diphenyl-4-pyridinyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),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;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;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 4064.68 g/mol, XLogP of 65.49, 23 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis(2,6-diphenyl-4-pyridinyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),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;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;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 157251838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).