5-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-(3,4-dimethylbenzene-6-id-1-yl)-5-[[10-(5-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;5-[[8-[6-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[4-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl]methyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[8-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;pentakis(platinum(2+))

C245H167N25O9Pt5 — CID 163654650

IUPAC5-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-(3,4-dimethylbenzene-6-id-1-yl)-5-[[10-(5-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;5-[[8-[6-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[4-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl]methyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[8-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;pentakis(platinum(2+))
SMILESCC1(C)CCC(C2Cc3ccnc(-c4[c-]c(Oc5ccc6c(n5)n(-c5[c-]cccc5)c5nc7ccccc7n65)cc5c4oc4ccc6ccccc6c45)c3C2)CC1.Cc1c[c-]c(-n2c3nc(Oc4[c-]c(-c5cc6c(cn5)CCC6c5ccccc5)c5oc6c7ccccc7ccc6c5c4)ccc3n3c4ccccc4nc23)cc1C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-n1c2nc(Cc3[c-]c(-c4nccc5c4CC(c4ccccc4)C5)c4oc5cc6ccccc6cc5c4c3)ccc2n2c3ccccc3nc12.[c-]1ccccc1-n1c2nc(Oc3[c-]c(-c4nccc5c4CC(C4CCCCC4)C5)c4oc5ccc6ccccc6c5c4c3)ccc2n2c3ccccc3nc12.[c-]1ccccc1-n1c2nc(Oc3[c-]c(-c4nccc5c4CC(c4ccccc4)C5)c4oc5ccc6ccccc6c5c4c3)ccc2n2c3ccccc3nc12
InChIInChI=1S/C50H39N5O2.C50H33N5O2.C49H31N5O.C48H35N5O2.C48H29N5O2.5Pt/c1-50(2)23-20-30(21-24-50)33-26-32-22-25-51-46(37(32)27-33)39-29-35(28-38-45-36-13-7-6-10-31(36)16-18-43(45)57-47(38)39)56-44-19-17-42-48(53-44)54(34-11-4-3-5-12-34)49-52-40-14-8-9-15-41(40)55(42)49;1-29-16-19-34(24-30(29)2)54-49-45(55-44-15-9-8-14-42(44)52-50(54)55)22-23-46(53-49)56-35-25-40-38-21-17-32-12-6-7-13-37(32)47(38)57-48(40)41(26-35)43-27-39-33(28-51-43)18-20-36(39)31-10-4-3-5-11-31;1-3-11-31(12-4-1)35-26-34-21-22-50-46(38(34)28-35)41-25-30(24-40-39-27-32-13-7-8-14-33(32)29-45(39)55-47(40)41)23-36-19-20-44-48(51-36)53(37-15-5-2-6-16-37)49-52-42-17-9-10-18-43(42)54(44)49;2*1-3-11-29(12-4-1)32-25-31-23-24-49-45(36(31)26-32)38-28-34(27-37-44-35-16-8-7-13-30(35)19-21-42(44)55-46(37)38)54-43-22-20-41-47(51-43)52(33-14-5-2-6-15-33)48-50-39-17-9-10-18-40(39)53(41)48;;;;;/h3-11,13-19,22,25,28,30,33H,20-21,23-24,26-27H2,1-2H3;3-17,21-25,27-28,36H,18,20H2,1-2H3;1-15,17-22,24,27,29,35H,23,26,28H2;2,5-10,13-14,16-24,27,29,32H,1,3-4,11-12,25-26H2;1-14,16-24,27,32H,25-26H2;;;;;/q5*-2;5*+2
InChIKeyXLRKAMHGWNUICD-UHFFFAOYSA-N
MW4580.59 g/mol
LogP58.14
Rot. Bonds25

About 5-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-(3,4-dimethylbenzene-6-id-1-yl)-5-[[10-(5-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;5-[[8-[6-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[4-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl]methyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[8-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;pentakis(platinum(2+))

5-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-(3,4-dimethylbenzene-6-id-1-yl)-5-[[10-(5-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;5-[[8-[6-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[4-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl]methyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[8-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;pentakis(platinum(2+)) (PubChem CID 163654650) has the molecular formula C245H167N25O9Pt5 and a molecular weight of 4580.59 g/mol. Its IUPAC name is 5-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-(3,4-dimethylbenzene-6-id-1-yl)-5-[[10-(5-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;5-[[8-[6-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[4-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl]methyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[8-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;pentakis(platinum(2+)).

Molecular Properties

Compound Name5-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-(3,4-dimethylbenzene-6-id-1-yl)-5-[[10-(5-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;5-[[8-[6-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[4-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl]methyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[8-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;pentakis(platinum(2+))
PubChem CID163654650
Molecular FormulaC245H167N25O9Pt5
Molecular Weight4580.59 g/mol
Exact Mass4577.16
IUPAC Name5-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-(3,4-dimethylbenzene-6-id-1-yl)-5-[[10-(5-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;5-[[8-[6-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[4-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl]methyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[8-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;pentakis(platinum(2+))
SMILESCC1(C)CCC(C2Cc3ccnc(-c4[c-]c(Oc5ccc6c(n5)n(-c5[c-]cccc5)c5nc7ccccc7n65)cc5c4oc4ccc6ccccc6c45)c3C2)CC1.Cc1c[c-]c(-n2c3nc(Oc4[c-]c(-c5cc6c(cn5)CCC6c5ccccc5)c5oc6c7ccccc7ccc6c5c4)ccc3n3c4ccccc4nc23)cc1C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-n1c2nc(Cc3[c-]c(-c4nccc5c4CC(c4ccccc4)C5)c4oc5cc6ccccc6cc5c4c3)ccc2n2c3ccccc3nc12.[c-]1ccccc1-n1c2nc(Oc3[c-]c(-c4nccc5c4CC(C4CCCCC4)C5)c4oc5ccc6ccccc6c5c4c3)ccc2n2c3ccccc3nc12.[c-]1ccccc1-n1c2nc(Oc3[c-]c(-c4nccc5c4CC(c4ccccc4)C5)c4oc5ccc6ccccc6c5c4c3)ccc2n2c3ccccc3nc12
InChIInChI=1S/C50H39N5O2.C50H33N5O2.C49H31N5O.C48H35N5O2.C48H29N5O2.5Pt/c1-50(2)23-20-30(21-24-50)33-26-32-22-25-51-46(37(32)27-33)39-29-35(28-38-45-36-13-7-6-10-31(36)16-18-43(45)57-47(38)39)56-44-19-17-42-48(53-44)54(34-11-4-3-5-12-34)49-52-40-14-8-9-15-41(40)55(42)49;1-29-16-19-34(24-30(29)2)54-49-45(55-44-15-9-8-14-42(44)52-50(54)55)22-23-46(53-49)56-35-25-40-38-21-17-32-12-6-7-13-37(32)47(38)57-48(40)41(26-35)43-27-39-33(28-51-43)18-20-36(39)31-10-4-3-5-11-31;1-3-11-31(12-4-1)35-26-34-21-22-50-46(38(34)28-35)41-25-30(24-40-39-27-32-13-7-8-14-33(32)29-45(39)55-47(40)41)23-36-19-20-44-48(51-36)53(37-15-5-2-6-16-37)49-52-42-17-9-10-18-43(42)54(44)49;2*1-3-11-29(12-4-1)32-25-31-23-24-49-45(36(31)26-32)38-28-34(27-37-44-35-16-8-7-13-30(35)19-21-42(44)55-46(37)38)54-43-22-20-41-47(51-43)52(33-14-5-2-6-15-33)48-50-39-17-9-10-18-40(39)53(41)48;;;;;/h3-11,13-19,22,25,28,30,33H,20-21,23-24,26-27H2,1-2H3;3-17,21-25,27-28,36H,18,20H2,1-2H3;1-15,17-22,24,27,29,35H,23,26,28H2;2,5-10,13-14,16-24,27,29,32H,1,3-4,11-12,25-26H2;1-14,16-24,27,32H,25-26H2;;;;;/q5*-2;5*+2
InChIKeyXLRKAMHGWNUICD-UHFFFAOYSA-N
XLogP58.14
TPSA342.67 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds25
Heavy Atoms284
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004580.59
LogP ≤ 558.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 5-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-(3,4-dimethylbenzene-6-id-1-yl)-5-[[10-(5-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;5-[[8-[6-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[4-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl]methyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[8-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;pentakis(platinum(2+)) with MolForge

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What is the IUPAC name of 5-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-(3,4-dimethylbenzene-6-id-1-yl)-5-[[10-(5-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;5-[[8-[6-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[4-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl]methyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[8-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;pentakis(platinum(2+))?
The IUPAC name of 5-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-(3,4-dimethylbenzene-6-id-1-yl)-5-[[10-(5-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;5-[[8-[6-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[4-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl]methyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[8-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;pentakis(platinum(2+)) (CID 163654650) is 5-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-(3,4-dimethylbenzene-6-id-1-yl)-5-[[10-(5-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;5-[[8-[6-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[4-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl]methyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[8-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;pentakis(platinum(2+)).
What is the SMILES notation for 5-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-(3,4-dimethylbenzene-6-id-1-yl)-5-[[10-(5-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;5-[[8-[6-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[4-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl]methyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[8-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;pentakis(platinum(2+))?
The canonical SMILES for 5-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-(3,4-dimethylbenzene-6-id-1-yl)-5-[[10-(5-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;5-[[8-[6-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[4-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl]methyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[8-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;pentakis(platinum(2+)) is CC1(C)CCC(C2Cc3ccnc(-c4[c-]c(Oc5ccc6c(n5)n(-c5[c-]cccc5)c5nc7ccccc7n65)cc5c4oc4ccc6ccccc6c45)c3C2)CC1.Cc1c[c-]c(-n2c3nc(Oc4[c-]c(-c5cc6c(cn5)CCC6c5ccccc5)c5oc6c7ccccc7ccc6c5c4)ccc3n3c4ccccc4nc23)cc1C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-n1c2nc(Cc3[c-]c(-c4nccc5c4CC(c4ccccc4)C5)c4oc5cc6ccccc6cc5c4c3)ccc2n2c3ccccc3nc12.[c-]1ccccc1-n1c2nc(Oc3[c-]c(-c4nccc5c4CC(C4CCCCC4)C5)c4oc5ccc6ccccc6c5c4c3)ccc2n2c3ccccc3nc12.[c-]1ccccc1-n1c2nc(Oc3[c-]c(-c4nccc5c4CC(c4ccccc4)C5)c4oc5ccc6ccccc6c5c4c3)ccc2n2c3ccccc3nc12.
What is the InChIKey of 5-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-(3,4-dimethylbenzene-6-id-1-yl)-5-[[10-(5-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;5-[[8-[6-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[4-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl]methyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[8-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;pentakis(platinum(2+))?
The InChIKey is XLRKAMHGWNUICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39N5O2.C50H33N5O2.C49H31N5O.C48H35N5O2.C48H29N5O2.5Pt/c1-50(2)23-20-30(21-24-50)33-26-32-22-25-51-46(37(32)27-33)39-29-35(28-38-45-36-13-7-6-10-31(36)16-18-43(45)57-47(38)39)56-44-19-17-42-48(53-44)54(34-11-4-3-5-12-34)49-52-40-14-8-9-15-41(40)55(42)49;1-29-16-19-34(24-30(29)2)54-49-45(55-44-15-9-8-14-42(44)52-50(54)55)22-23-46(53-49)56-35-25-40-38-21-17-32-12-6-7-13-37(32)47(38)57-48(40)41(26-35)43-27-39-33(28-51-43)18-20-36(39)31-10-4-3-5-11-31;1-3-11-31(12-4-1)35-26-34-21-22-50-46(38(34)28-35)41-25-30(24-40-39-27-32-13-7-8-14-33(32)29-45(39)55-47(40)41)23-36-19-20-44-48(51-36)53(37-15-5-2-6-16-37)49-52-42-17-9-10-18-43(42)54(44)49;2*1-3-11-29(12-4-1)32-25-31-23-24-49-45(36(31)26-32)38-28-34(27-37-44-35-16-8-7-13-30(35)19-21-42(44)55-46(37)38)54-43-22-20-41-47(51-43)52(33-14-5-2-6-15-33)48-50-39-17-9-10-18-40(39)53(41)48;;;;;/h3-11,13-19,22,25,28,30,33H,20-21,23-24,26-27H2,1-2H3;3-17,21-25,27-28,36H,18,20H2,1-2H3;1-15,17-22,24,27,29,35H,23,26,28H2;2,5-10,13-14,16-24,27,29,32H,1,3-4,11-12,25-26H2;1-14,16-24,27,32H,25-26H2;;;;;/q5*-2;5*+2.
What are the key properties of 5-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-(3,4-dimethylbenzene-6-id-1-yl)-5-[[10-(5-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;5-[[8-[6-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[4-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl]methyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[8-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;pentakis(platinum(2+))?
5-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-(3,4-dimethylbenzene-6-id-1-yl)-5-[[10-(5-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;5-[[8-[6-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[4-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl]methyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[8-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;pentakis(platinum(2+)) has a molecular weight of 4580.59 g/mol, XLogP of 58.14, 25 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-(3,4-dimethylbenzene-6-id-1-yl)-5-[[10-(5-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;5-[[8-[6-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[4-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl]methyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;8-phenyl-5-[[8-(6-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;pentakis(platinum(2+)) is sourced from PubChem (CID 163654650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).