4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-dimethylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-diphenylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine;15-[6-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[8-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)pyrazin-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)-3-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene

C277H156N18O16 — CID 158295609

IUPAC4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-dimethylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-diphenylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine;15-[6-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[8-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)pyrazin-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)-3-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
SMILESCC1(C)c2cc(-c3ccnc4c3oc3ccccc34)ccc2-c2ccc(-c3ccnc4c3oc3ccccc34)cc21.c1ccc(-n2c3ccc(-c4ccnc5c4oc4ccccc45)cc3c3c(-c4ccnc5c4oc4ccccc45)cccc32)cc1.c1ccc(C2(c3ccccc3)c3cc(-c4ccnc5c4oc4ccccc45)ccc3-c3ccc(-c4ccnc5c4oc4ccccc45)cc32)cc1.c1ccc2c(c1)ccc1c3nccc(-c4ccc5oc6c(-c7ccnc8c7oc7c9ccccc9ccc87)cccc6c5c4)c3oc21.c1ccc2c(c1)ccc1c3nccc(-c4ccc5oc6ccc(-c7ccnc8c7oc7c9ccccc9ccc87)cc6c5c4)c3oc21.c1ccc2c(c1)ccc1c3nccc(-c4cnc(-c5ccnc6c5oc5c7ccccc7ccc65)cn4)c3oc21.c1ccc2c(c1)ccc1c3nccc(-c4cncc(-c5ccnc6c5oc5c7ccccc7ccc65)c4)c3oc21
InChIInChI=1S/C47H28N2O2.2C42H22N2O3.C40H23N3O2.C37H24N2O2.C35H19N3O2.C34H18N4O2/c1-3-11-31(12-4-1)47(32-13-5-2-6-14-32)39-27-29(33-23-25-48-43-37-15-7-9-17-41(37)50-45(33)43)19-21-35(39)36-22-20-30(28-40(36)47)34-24-26-49-44-38-16-8-10-18-42(38)51-46(34)44;1-3-8-26-23(6-1)12-15-32-36-41(46-38(26)32)28(18-20-43-36)25-14-17-35-34(22-25)30-11-5-10-29(40(30)45-35)31-19-21-44-37-33-16-13-24-7-2-4-9-27(24)39(33)47-42(31)37;1-3-7-27-23(5-1)9-13-31-37-41(46-39(27)31)29(17-19-43-37)25-11-15-35-33(21-25)34-22-26(12-16-36(34)45-35)30-18-20-44-38-32-14-10-24-6-2-4-8-28(24)40(32)47-42(30)38;1-2-9-25(10-3-1)43-32-18-17-24(26-19-21-41-37-29-11-4-6-15-34(29)44-39(26)37)23-31(32)36-27(13-8-14-33(36)43)28-20-22-42-38-30-12-5-7-16-35(30)45-40(28)38;1-37(2)29-19-21(23-15-17-38-33-27-7-3-5-9-31(27)40-35(23)33)11-13-25(29)26-14-12-22(20-30(26)37)24-16-18-39-34-28-8-4-6-10-32(28)41-36(24)34;1-3-7-24-20(5-1)9-11-28-30-34(39-32(24)28)26(13-15-37-30)22-17-23(19-36-18-22)27-14-16-38-31-29-12-10-21-6-2-4-8-25(21)33(29)40-35(27)31;1-3-7-21-19(5-1)9-11-25-29-33(39-31(21)25)23(13-15-35-29)27-17-38-28(18-37-27)24-14-16-36-30-26-12-10-20-6-2-4-8-22(20)32(26)40-34(24)30/h1-28H;2*1-22H;1-23H;3-20H,1-2H3;1-19H;1-18H
InChIKeyGLWIREBPZAYPCJ-UHFFFAOYSA-N
MW3992.40 g/mol
LogP74.24
Rot. Bonds17

About 4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-dimethylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-diphenylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine;15-[6-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[8-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)pyrazin-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)-3-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene

4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-dimethylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-diphenylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine;15-[6-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[8-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)pyrazin-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)-3-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene (PubChem CID 158295609) has the molecular formula C277H156N18O16 and a molecular weight of 3992.40 g/mol. Its IUPAC name is 4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-dimethylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-diphenylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine;15-[6-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[8-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)pyrazin-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)-3-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene.

Molecular Properties

Compound Name4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-dimethylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-diphenylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine;15-[6-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[8-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)pyrazin-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)-3-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
PubChem CID158295609
Molecular FormulaC277H156N18O16
Molecular Weight3992.40 g/mol
Exact Mass3989.19
IUPAC Name4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-dimethylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-diphenylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine;15-[6-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[8-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)pyrazin-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)-3-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
SMILESCC1(C)c2cc(-c3ccnc4c3oc3ccccc34)ccc2-c2ccc(-c3ccnc4c3oc3ccccc34)cc21.c1ccc(-n2c3ccc(-c4ccnc5c4oc4ccccc45)cc3c3c(-c4ccnc5c4oc4ccccc45)cccc32)cc1.c1ccc(C2(c3ccccc3)c3cc(-c4ccnc5c4oc4ccccc45)ccc3-c3ccc(-c4ccnc5c4oc4ccccc45)cc32)cc1.c1ccc2c(c1)ccc1c3nccc(-c4ccc5oc6c(-c7ccnc8c7oc7c9ccccc9ccc87)cccc6c5c4)c3oc21.c1ccc2c(c1)ccc1c3nccc(-c4ccc5oc6ccc(-c7ccnc8c7oc7c9ccccc9ccc87)cc6c5c4)c3oc21.c1ccc2c(c1)ccc1c3nccc(-c4cnc(-c5ccnc6c5oc5c7ccccc7ccc65)cn4)c3oc21.c1ccc2c(c1)ccc1c3nccc(-c4cncc(-c5ccnc6c5oc5c7ccccc7ccc65)c4)c3oc21
InChIInChI=1S/C47H28N2O2.2C42H22N2O3.C40H23N3O2.C37H24N2O2.C35H19N3O2.C34H18N4O2/c1-3-11-31(12-4-1)47(32-13-5-2-6-14-32)39-27-29(33-23-25-48-43-37-15-7-9-17-41(37)50-45(33)43)19-21-35(39)36-22-20-30(28-40(36)47)34-24-26-49-44-38-16-8-10-18-42(38)51-46(34)44;1-3-8-26-23(6-1)12-15-32-36-41(46-38(26)32)28(18-20-43-36)25-14-17-35-34(22-25)30-11-5-10-29(40(30)45-35)31-19-21-44-37-33-16-13-24-7-2-4-9-27(24)39(33)47-42(31)37;1-3-7-27-23(5-1)9-13-31-37-41(46-39(27)31)29(17-19-43-37)25-11-15-35-33(21-25)34-22-26(12-16-36(34)45-35)30-18-20-44-38-32-14-10-24-6-2-4-8-28(24)40(32)47-42(30)38;1-2-9-25(10-3-1)43-32-18-17-24(26-19-21-41-37-29-11-4-6-15-34(29)44-39(26)37)23-31(32)36-27(13-8-14-33(36)43)28-20-22-42-38-30-12-5-7-16-35(30)45-40(28)38;1-37(2)29-19-21(23-15-17-38-33-27-7-3-5-9-31(27)40-35(23)33)11-13-25(29)26-14-12-22(20-30(26)37)24-16-18-39-34-28-8-4-6-10-32(28)41-36(24)34;1-3-7-24-20(5-1)9-11-28-30-34(39-32(24)28)26(13-15-37-30)22-17-23(19-36-18-22)27-14-16-38-31-29-12-10-21-6-2-4-8-25(21)33(29)40-35(27)31;1-3-7-21-19(5-1)9-11-25-29-33(39-31(21)25)23(13-15-35-29)27-17-38-28(18-37-27)24-14-16-36-30-26-12-10-20-6-2-4-8-22(20)32(26)40-34(24)30/h1-28H;2*1-22H;1-23H;3-20H,1-2H3;1-19H;1-18H
InChIKeyGLWIREBPZAYPCJ-UHFFFAOYSA-N
XLogP74.24
TPSA434.30 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds17
Heavy Atoms311
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003992.40
LogP ≤ 574.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-dimethylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-diphenylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine;15-[6-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[8-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)pyrazin-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)-3-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene with MolForge

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What is the IUPAC name of 4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-dimethylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-diphenylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine;15-[6-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[8-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)pyrazin-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)-3-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
The IUPAC name of 4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-dimethylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-diphenylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine;15-[6-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[8-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)pyrazin-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)-3-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene (CID 158295609) is 4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-dimethylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-diphenylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine;15-[6-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[8-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)pyrazin-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)-3-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene.
What is the SMILES notation for 4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-dimethylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-diphenylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine;15-[6-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[8-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)pyrazin-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)-3-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
The canonical SMILES for 4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-dimethylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-diphenylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine;15-[6-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[8-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)pyrazin-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)-3-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene is CC1(C)c2cc(-c3ccnc4c3oc3ccccc34)ccc2-c2ccc(-c3ccnc4c3oc3ccccc34)cc21.c1ccc(-n2c3ccc(-c4ccnc5c4oc4ccccc45)cc3c3c(-c4ccnc5c4oc4ccccc45)cccc32)cc1.c1ccc(C2(c3ccccc3)c3cc(-c4ccnc5c4oc4ccccc45)ccc3-c3ccc(-c4ccnc5c4oc4ccccc45)cc32)cc1.c1ccc2c(c1)ccc1c3nccc(-c4ccc5oc6c(-c7ccnc8c7oc7c9ccccc9ccc87)cccc6c5c4)c3oc21.c1ccc2c(c1)ccc1c3nccc(-c4ccc5oc6ccc(-c7ccnc8c7oc7c9ccccc9ccc87)cc6c5c4)c3oc21.c1ccc2c(c1)ccc1c3nccc(-c4cnc(-c5ccnc6c5oc5c7ccccc7ccc65)cn4)c3oc21.c1ccc2c(c1)ccc1c3nccc(-c4cncc(-c5ccnc6c5oc5c7ccccc7ccc65)c4)c3oc21.
What is the InChIKey of 4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-dimethylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-diphenylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine;15-[6-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[8-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)pyrazin-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)-3-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
The InChIKey is GLWIREBPZAYPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2O2.2C42H22N2O3.C40H23N3O2.C37H24N2O2.C35H19N3O2.C34H18N4O2/c1-3-11-31(12-4-1)47(32-13-5-2-6-14-32)39-27-29(33-23-25-48-43-37-15-7-9-17-41(37)50-45(33)43)19-21-35(39)36-22-20-30(28-40(36)47)34-24-26-49-44-38-16-8-10-18-42(38)51-46(34)44;1-3-8-26-23(6-1)12-15-32-36-41(46-38(26)32)28(18-20-43-36)25-14-17-35-34(22-25)30-11-5-10-29(40(30)45-35)31-19-21-44-37-33-16-13-24-7-2-4-9-27(24)39(33)47-42(31)37;1-3-7-27-23(5-1)9-13-31-37-41(46-39(27)31)29(17-19-43-37)25-11-15-35-33(21-25)34-22-26(12-16-36(34)45-35)30-18-20-44-38-32-14-10-24-6-2-4-8-28(24)40(32)47-42(30)38;1-2-9-25(10-3-1)43-32-18-17-24(26-19-21-41-37-29-11-4-6-15-34(29)44-39(26)37)23-31(32)36-27(13-8-14-33(36)43)28-20-22-42-38-30-12-5-7-16-35(30)45-40(28)38;1-37(2)29-19-21(23-15-17-38-33-27-7-3-5-9-31(27)40-35(23)33)11-13-25(29)26-14-12-22(20-30(26)37)24-16-18-39-34-28-8-4-6-10-32(28)41-36(24)34;1-3-7-24-20(5-1)9-11-28-30-34(39-32(24)28)26(13-15-37-30)22-17-23(19-36-18-22)27-14-16-38-31-29-12-10-21-6-2-4-8-25(21)33(29)40-35(27)31;1-3-7-21-19(5-1)9-11-25-29-33(39-31(21)25)23(13-15-35-29)27-17-38-28(18-37-27)24-14-16-36-30-26-12-10-20-6-2-4-8-22(20)32(26)40-34(24)30/h1-28H;2*1-22H;1-23H;3-20H,1-2H3;1-19H;1-18H.
What are the key properties of 4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-dimethylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-diphenylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine;15-[6-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[8-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)pyrazin-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)-3-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-dimethylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-diphenylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine;15-[6-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[8-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)pyrazin-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)-3-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene has a molecular weight of 3992.40 g/mol, XLogP of 74.24, 17 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-dimethylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[7-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9-diphenylfluoren-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine;15-[6-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[8-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)dibenzofuran-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)pyrazin-2-yl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;15-[5-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-15-yl)-3-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene is sourced from PubChem (CID 158295609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).