4-[6-([1]benzofuro[3,2-b]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]pyridine;4-[6-([1]benzofuro[3,2-c]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-c]pyridine;4-[4-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3,5-bis([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-[1]benzofuro[2,3-b]pyridine;1-phenyl-8-[4-[4-(1-phenyl-[1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzofuro[3,2-c]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-phenyl-4-[4-[4-(8-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine

C325H189N17O13S6 — CID 167638105

IUPAC4-[6-([1]benzofuro[3,2-b]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]pyridine;4-[6-([1]benzofuro[3,2-c]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-c]pyridine;4-[4-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3,5-bis([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-[1]benzofuro[2,3-b]pyridine;1-phenyl-8-[4-[4-(1-phenyl-[1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzofuro[3,2-c]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-phenyl-4-[4-[4-(8-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine
SMILESc1ccc(-c2ccc3sc4c(-c5ccc(-c6ccc(-c7ccnc8c7sc7ccc(-c9ccccc9)cc78)cc6)cc5)ccnc4c3c2)cc1.c1ccc(-c2cccc3c2oc2c(-c4ccc(-c5ccc(-c6cncc7c6oc6c(-c8ccccc8)cccc67)cc5)cc4)cncc23)cc1.c1ccc(-c2cccc3c2sc2c(-c4ccc(-c5ccc(-c6ccnc7c6sc6c(-c8ccccc8)cccc67)cc5)cc4)ccnc23)cc1.c1ccc(-c2nccc3c2oc2c(-c4ccc(-c5ccc(-c6cccc7c6oc6c(-c8ccccc8)nccc67)cc5)cc4)cccc23)cc1.c1ccc2c(c1)oc1c(-c3cccc4c3oc3c(-c5ccnc6c5oc5ccccc56)cccc34)ccnc12.c1ccc2c(c1)oc1c(-c3cccc4c3oc3c(-c5cncc6c5oc5ccccc56)cccc34)cncc12.c1ccc2c(c1)sc1c(-c3ccc(-c4ccc(-c5ccnc6c5sc5ccccc56)cc4)cc3)ccnc12.c1cnc2oc3c(-c4cc(-c5cccc6c5oc5ncccc56)cc(-c5cccc6c5oc5ncccc56)c4)cccc3c2c1
InChIInChI=1S/2C46H28N2O2.2C46H28N2S2.C39H21N3O3.2C34H18N2O3.C34H20N2S2/c1-3-9-31(10-4-1)35-13-7-15-37-41-27-47-25-39(45(41)49-43(35)37)33-21-17-29(18-22-33)30-19-23-34(24-20-30)40-26-48-28-42-38-16-8-14-36(44(38)50-46(40)42)32-11-5-2-6-12-32;1-3-9-33(10-4-1)41-45-39(25-27-47-41)37-15-7-13-35(43(37)49-45)31-21-17-29(18-22-31)30-19-23-32(24-20-30)36-14-8-16-38-40-26-28-48-42(46(40)50-44(36)38)34-11-5-2-6-12-34;1-3-9-31(10-4-1)35-13-7-15-39-41-45(49-43(35)39)37(25-27-47-41)33-21-17-29(18-22-33)30-19-23-34(24-20-30)38-26-28-48-42-40-16-8-14-36(44(40)50-46(38)42)32-11-5-2-6-12-32;1-3-7-29(8-4-1)35-19-21-41-39(27-35)43-45(49-41)37(23-25-47-43)33-15-11-31(12-16-33)32-13-17-34(18-14-32)38-24-26-48-44-40-28-36(30-9-5-2-6-10-30)20-22-42(40)50-46(38)44;1-7-25(34-28(10-1)31-13-4-16-40-37(31)43-34)22-19-23(26-8-2-11-29-32-14-5-17-41-38(32)44-35(26)29)21-24(20-22)27-9-3-12-30-33-15-6-18-42-39(33)45-36(27)30;1-3-13-29-19(7-1)25-15-35-17-27(33(25)37-29)23-11-5-9-21-22-10-6-12-24(32(22)39-31(21)23)28-18-36-16-26-20-8-2-4-14-30(20)38-34(26)28;1-3-13-27-25(7-1)29-33(37-27)23(15-17-35-29)21-11-5-9-19-20-10-6-12-22(32(20)39-31(19)21)24-16-18-36-30-26-8-2-4-14-28(26)38-34(24)30;1-3-7-29-27(5-1)31-33(37-29)25(17-19-35-31)23-13-9-21(10-14-23)22-11-15-24(16-12-22)26-18-20-36-32-28-6-2-4-8-30(28)38-34(26)32/h4*1-28H;1-21H;2*1-18H;1-20H
InChIKeyOTQHZRAZXOMWLL-UHFFFAOYSA-N
MW4732.59 g/mol
LogP92.12
Rot. Bonds30

About 4-[6-([1]benzofuro[3,2-b]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]pyridine;4-[6-([1]benzofuro[3,2-c]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-c]pyridine;4-[4-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3,5-bis([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-[1]benzofuro[2,3-b]pyridine;1-phenyl-8-[4-[4-(1-phenyl-[1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzofuro[3,2-c]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-phenyl-4-[4-[4-(8-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine

4-[6-([1]benzofuro[3,2-b]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]pyridine;4-[6-([1]benzofuro[3,2-c]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-c]pyridine;4-[4-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3,5-bis([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-[1]benzofuro[2,3-b]pyridine;1-phenyl-8-[4-[4-(1-phenyl-[1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzofuro[3,2-c]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-phenyl-4-[4-[4-(8-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine (PubChem CID 167638105) has the molecular formula C325H189N17O13S6 and a molecular weight of 4732.59 g/mol. Its IUPAC name is 4-[6-([1]benzofuro[3,2-b]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]pyridine;4-[6-([1]benzofuro[3,2-c]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-c]pyridine;4-[4-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3,5-bis([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-[1]benzofuro[2,3-b]pyridine;1-phenyl-8-[4-[4-(1-phenyl-[1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzofuro[3,2-c]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-phenyl-4-[4-[4-(8-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine.

Molecular Properties

Compound Name4-[6-([1]benzofuro[3,2-b]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]pyridine;4-[6-([1]benzofuro[3,2-c]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-c]pyridine;4-[4-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3,5-bis([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-[1]benzofuro[2,3-b]pyridine;1-phenyl-8-[4-[4-(1-phenyl-[1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzofuro[3,2-c]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-phenyl-4-[4-[4-(8-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine
PubChem CID167638105
Molecular FormulaC325H189N17O13S6
Molecular Weight4732.59 g/mol
Exact Mass4728.30
IUPAC Name4-[6-([1]benzofuro[3,2-b]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]pyridine;4-[6-([1]benzofuro[3,2-c]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-c]pyridine;4-[4-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3,5-bis([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-[1]benzofuro[2,3-b]pyridine;1-phenyl-8-[4-[4-(1-phenyl-[1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzofuro[3,2-c]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-phenyl-4-[4-[4-(8-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine
SMILESc1ccc(-c2ccc3sc4c(-c5ccc(-c6ccc(-c7ccnc8c7sc7ccc(-c9ccccc9)cc78)cc6)cc5)ccnc4c3c2)cc1.c1ccc(-c2cccc3c2oc2c(-c4ccc(-c5ccc(-c6cncc7c6oc6c(-c8ccccc8)cccc67)cc5)cc4)cncc23)cc1.c1ccc(-c2cccc3c2sc2c(-c4ccc(-c5ccc(-c6ccnc7c6sc6c(-c8ccccc8)cccc67)cc5)cc4)ccnc23)cc1.c1ccc(-c2nccc3c2oc2c(-c4ccc(-c5ccc(-c6cccc7c6oc6c(-c8ccccc8)nccc67)cc5)cc4)cccc23)cc1.c1ccc2c(c1)oc1c(-c3cccc4c3oc3c(-c5ccnc6c5oc5ccccc56)cccc34)ccnc12.c1ccc2c(c1)oc1c(-c3cccc4c3oc3c(-c5cncc6c5oc5ccccc56)cccc34)cncc12.c1ccc2c(c1)sc1c(-c3ccc(-c4ccc(-c5ccnc6c5sc5ccccc56)cc4)cc3)ccnc12.c1cnc2oc3c(-c4cc(-c5cccc6c5oc5ncccc56)cc(-c5cccc6c5oc5ncccc56)c4)cccc3c2c1
InChIInChI=1S/2C46H28N2O2.2C46H28N2S2.C39H21N3O3.2C34H18N2O3.C34H20N2S2/c1-3-9-31(10-4-1)35-13-7-15-37-41-27-47-25-39(45(41)49-43(35)37)33-21-17-29(18-22-33)30-19-23-34(24-20-30)40-26-48-28-42-38-16-8-14-36(44(38)50-46(40)42)32-11-5-2-6-12-32;1-3-9-33(10-4-1)41-45-39(25-27-47-41)37-15-7-13-35(43(37)49-45)31-21-17-29(18-22-31)30-19-23-32(24-20-30)36-14-8-16-38-40-26-28-48-42(46(40)50-44(36)38)34-11-5-2-6-12-34;1-3-9-31(10-4-1)35-13-7-15-39-41-45(49-43(35)39)37(25-27-47-41)33-21-17-29(18-22-33)30-19-23-34(24-20-30)38-26-28-48-42-40-16-8-14-36(44(40)50-46(38)42)32-11-5-2-6-12-32;1-3-7-29(8-4-1)35-19-21-41-39(27-35)43-45(49-41)37(23-25-47-43)33-15-11-31(12-16-33)32-13-17-34(18-14-32)38-24-26-48-44-40-28-36(30-9-5-2-6-10-30)20-22-42(40)50-46(38)44;1-7-25(34-28(10-1)31-13-4-16-40-37(31)43-34)22-19-23(26-8-2-11-29-32-14-5-17-41-38(32)44-35(26)29)21-24(20-22)27-9-3-12-30-33-15-6-18-42-39(33)45-36(27)30;1-3-13-29-19(7-1)25-15-35-17-27(33(25)37-29)23-11-5-9-21-22-10-6-12-24(32(22)39-31(21)23)28-18-36-16-26-20-8-2-4-14-30(20)38-34(26)28;1-3-13-27-25(7-1)29-33(37-27)23(15-17-35-29)21-11-5-9-19-20-10-6-12-22(32(20)39-31(19)21)24-16-18-36-30-26-8-2-4-14-28(26)38-34(24)30;1-3-7-29-27(5-1)31-33(37-29)25(17-19-35-31)23-13-9-21(10-14-23)22-11-15-24(16-12-22)26-18-20-36-32-28-6-2-4-8-30(28)38-34(26)32/h4*1-28H;1-21H;2*1-18H;1-20H
InChIKeyOTQHZRAZXOMWLL-UHFFFAOYSA-N
XLogP92.12
TPSA389.95 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds30
Heavy Atoms361
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004732.59
LogP ≤ 592.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 4-[6-([1]benzofuro[3,2-b]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]pyridine;4-[6-([1]benzofuro[3,2-c]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-c]pyridine;4-[4-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3,5-bis([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-[1]benzofuro[2,3-b]pyridine;1-phenyl-8-[4-[4-(1-phenyl-[1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzofuro[3,2-c]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-phenyl-4-[4-[4-(8-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-([1]benzofuro[3,2-b]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]pyridine;4-[6-([1]benzofuro[3,2-c]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-c]pyridine;4-[4-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3,5-bis([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-[1]benzofuro[2,3-b]pyridine;1-phenyl-8-[4-[4-(1-phenyl-[1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzofuro[3,2-c]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-phenyl-4-[4-[4-(8-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine?
The IUPAC name of 4-[6-([1]benzofuro[3,2-b]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]pyridine;4-[6-([1]benzofuro[3,2-c]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-c]pyridine;4-[4-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3,5-bis([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-[1]benzofuro[2,3-b]pyridine;1-phenyl-8-[4-[4-(1-phenyl-[1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzofuro[3,2-c]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-phenyl-4-[4-[4-(8-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine (CID 167638105) is 4-[6-([1]benzofuro[3,2-b]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]pyridine;4-[6-([1]benzofuro[3,2-c]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-c]pyridine;4-[4-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3,5-bis([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-[1]benzofuro[2,3-b]pyridine;1-phenyl-8-[4-[4-(1-phenyl-[1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzofuro[3,2-c]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-phenyl-4-[4-[4-(8-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine.
What is the SMILES notation for 4-[6-([1]benzofuro[3,2-b]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]pyridine;4-[6-([1]benzofuro[3,2-c]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-c]pyridine;4-[4-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3,5-bis([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-[1]benzofuro[2,3-b]pyridine;1-phenyl-8-[4-[4-(1-phenyl-[1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzofuro[3,2-c]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-phenyl-4-[4-[4-(8-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine?
The canonical SMILES for 4-[6-([1]benzofuro[3,2-b]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]pyridine;4-[6-([1]benzofuro[3,2-c]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-c]pyridine;4-[4-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3,5-bis([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-[1]benzofuro[2,3-b]pyridine;1-phenyl-8-[4-[4-(1-phenyl-[1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzofuro[3,2-c]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-phenyl-4-[4-[4-(8-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine is c1ccc(-c2ccc3sc4c(-c5ccc(-c6ccc(-c7ccnc8c7sc7ccc(-c9ccccc9)cc78)cc6)cc5)ccnc4c3c2)cc1.c1ccc(-c2cccc3c2oc2c(-c4ccc(-c5ccc(-c6cncc7c6oc6c(-c8ccccc8)cccc67)cc5)cc4)cncc23)cc1.c1ccc(-c2cccc3c2sc2c(-c4ccc(-c5ccc(-c6ccnc7c6sc6c(-c8ccccc8)cccc67)cc5)cc4)ccnc23)cc1.c1ccc(-c2nccc3c2oc2c(-c4ccc(-c5ccc(-c6cccc7c6oc6c(-c8ccccc8)nccc67)cc5)cc4)cccc23)cc1.c1ccc2c(c1)oc1c(-c3cccc4c3oc3c(-c5ccnc6c5oc5ccccc56)cccc34)ccnc12.c1ccc2c(c1)oc1c(-c3cccc4c3oc3c(-c5cncc6c5oc5ccccc56)cccc34)cncc12.c1ccc2c(c1)sc1c(-c3ccc(-c4ccc(-c5ccnc6c5sc5ccccc56)cc4)cc3)ccnc12.c1cnc2oc3c(-c4cc(-c5cccc6c5oc5ncccc56)cc(-c5cccc6c5oc5ncccc56)c4)cccc3c2c1.
What is the InChIKey of 4-[6-([1]benzofuro[3,2-b]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]pyridine;4-[6-([1]benzofuro[3,2-c]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-c]pyridine;4-[4-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3,5-bis([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-[1]benzofuro[2,3-b]pyridine;1-phenyl-8-[4-[4-(1-phenyl-[1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzofuro[3,2-c]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-phenyl-4-[4-[4-(8-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine?
The InChIKey is OTQHZRAZXOMWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H28N2O2.2C46H28N2S2.C39H21N3O3.2C34H18N2O3.C34H20N2S2/c1-3-9-31(10-4-1)35-13-7-15-37-41-27-47-25-39(45(41)49-43(35)37)33-21-17-29(18-22-33)30-19-23-34(24-20-30)40-26-48-28-42-38-16-8-14-36(44(38)50-46(40)42)32-11-5-2-6-12-32;1-3-9-33(10-4-1)41-45-39(25-27-47-41)37-15-7-13-35(43(37)49-45)31-21-17-29(18-22-31)30-19-23-32(24-20-30)36-14-8-16-38-40-26-28-48-42(46(40)50-44(36)38)34-11-5-2-6-12-34;1-3-9-31(10-4-1)35-13-7-15-39-41-45(49-43(35)39)37(25-27-47-41)33-21-17-29(18-22-33)30-19-23-34(24-20-30)38-26-28-48-42-40-16-8-14-36(44(40)50-46(38)42)32-11-5-2-6-12-32;1-3-7-29(8-4-1)35-19-21-41-39(27-35)43-45(49-41)37(23-25-47-43)33-15-11-31(12-16-33)32-13-17-34(18-14-32)38-24-26-48-44-40-28-36(30-9-5-2-6-10-30)20-22-42(40)50-46(38)44;1-7-25(34-28(10-1)31-13-4-16-40-37(31)43-34)22-19-23(26-8-2-11-29-32-14-5-17-41-38(32)44-35(26)29)21-24(20-22)27-9-3-12-30-33-15-6-18-42-39(33)45-36(27)30;1-3-13-29-19(7-1)25-15-35-17-27(33(25)37-29)23-11-5-9-21-22-10-6-12-24(32(22)39-31(21)23)28-18-36-16-26-20-8-2-4-14-30(20)38-34(26)28;1-3-13-27-25(7-1)29-33(37-27)23(15-17-35-29)21-11-5-9-19-20-10-6-12-22(32(20)39-31(19)21)24-16-18-36-30-26-8-2-4-14-28(26)38-34(24)30;1-3-7-29-27(5-1)31-33(37-29)25(17-19-35-31)23-13-9-21(10-14-23)22-11-15-24(16-12-22)26-18-20-36-32-28-6-2-4-8-30(28)38-34(26)32/h4*1-28H;1-21H;2*1-18H;1-20H.
What are the key properties of 4-[6-([1]benzofuro[3,2-b]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]pyridine;4-[6-([1]benzofuro[3,2-c]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-c]pyridine;4-[4-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3,5-bis([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-[1]benzofuro[2,3-b]pyridine;1-phenyl-8-[4-[4-(1-phenyl-[1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzofuro[3,2-c]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-phenyl-4-[4-[4-(8-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine?
4-[6-([1]benzofuro[3,2-b]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]pyridine;4-[6-([1]benzofuro[3,2-c]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-c]pyridine;4-[4-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3,5-bis([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-[1]benzofuro[2,3-b]pyridine;1-phenyl-8-[4-[4-(1-phenyl-[1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzofuro[3,2-c]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-phenyl-4-[4-[4-(8-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine has a molecular weight of 4732.59 g/mol, XLogP of 92.12, 30 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-([1]benzofuro[3,2-b]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]pyridine;4-[6-([1]benzofuro[3,2-c]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-c]pyridine;4-[4-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3,5-bis([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-[1]benzofuro[2,3-b]pyridine;1-phenyl-8-[4-[4-(1-phenyl-[1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzofuro[3,2-c]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-phenyl-4-[4-[4-(8-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 167638105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).