10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;6-[5-(8-carbazol-9-yldibenzofuran-4-yl)pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole;8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[9-[8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-d]pyridazine;8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;6-[5-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C324H182N44O10S — CID 159205335

IUPAC10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;6-[5-(8-carbazol-9-yldibenzofuran-4-yl)pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole;8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[9-[8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-d]pyridazine;8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;6-[5-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1cc(-n2c3ccccc3c3cc(-c4cc(-n5c6ccnnc6c6nnccc65)cc5c4oc4cnncc45)ccc32)c2sc3ccc(-n4c5ccnnc5c5nnccc54)cc3c2c1.c1cc(-n2c3ccncc3c3cc(-c4cncc5c4oc4ccncc45)ccc32)c2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.c1cc(-n2c3ccncc3c3cnccc32)c2oc3c(-n4c5ccncc5c5cc(-c6cncc7c6oc6ccncc67)ccc54)cccc3c2c1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccn4)ccc2n3-c2ccc3oc4c(-n5c6ccccc6c6cc(-c7ccnc8c7oc7ccc(-n9c%10cccnc%10c%10ncccc%109)nc78)ccc65)cccc4c3c2)nc1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2ncccc2n3-c2ccc3oc4c(-c5ccccc5-n5c6ccc(-c7ccccc7-c7ccccn7)cc6c6ncccc65)cccc4c3c2)nc1.c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3cccnc3n4-c3cccc4c3oc3ccc(-n5c6ccccc6c6cccnc65)cc34)cc12
InChIInChI=1S/C78H45N9O2.C62H38N6O.C50H25N13OS.C46H26N4O2.C45H25N5O2.C43H23N7O2/c1-3-16-53(61-20-7-9-37-79-61)50(14-1)46-26-30-64-58(42-46)59-43-47(51-15-2-4-17-54(51)62-21-8-10-38-80-62)27-31-65(59)85(64)49-29-33-70-60(45-49)56-19-11-23-69(77(56)88-70)86-63-22-6-5-18-55(63)57-44-48(28-32-66(57)86)52-36-41-83-76-75-71(89-78(52)76)34-35-72(84-75)87-67-24-12-39-81-73(67)74-68(87)25-13-40-82-74;1-3-16-44(52-21-7-9-32-63-52)42(14-1)39-26-29-55-50(36-39)60-57(24-12-34-65-60)67(55)41-28-31-59-49(38-41)48-20-11-19-47(62(48)69-59)46-18-5-6-23-54(46)68-56-30-27-40(37-51(56)61-58(68)25-13-35-66-61)43-15-2-4-17-45(43)53-22-8-10-33-64-53;1-2-6-36-29(4-1)32-20-26(31-22-28(23-34-35-24-55-56-25-43(35)64-49(31)34)62-40-14-18-53-59-47(40)48-41(62)15-19-54-60-48)8-10-37(32)63(36)42-7-3-5-30-33-21-27(9-11-44(33)65-50(30)42)61-38-12-16-51-57-45(38)46-39(61)13-17-52-58-46;1-3-13-38-30(8-1)33-11-6-22-47-45(33)49(38)29-18-21-43-37(26-29)32-10-5-14-40(44(32)52-43)50-39-19-16-27(24-35(39)34-12-7-23-48-46(34)50)28-17-20-42-36(25-28)31-9-2-4-15-41(31)51-42;1-3-9-37-28(6-1)29-7-2-4-10-38(29)49(37)27-13-15-42-32(21-27)30-8-5-11-41(45(30)52-42)50-39-14-12-26(20-31(39)34-23-46-18-16-40(34)50)33-22-48-25-36-35-24-47-19-17-43(35)51-44(33)36;1-3-25-26-4-2-6-39(50-36-10-14-45-20-30(36)31-21-46-15-11-37(31)50)43(26)52-42(25)38(5-1)49-34-8-7-24(17-27(34)29-19-44-13-9-35(29)49)28-18-48-23-33-32-22-47-16-12-40(32)51-41(28)33/h1-45H;1-38H;1-25H;1-26H;1-25H;1-23H
InChIKeyKPUROYCQTYMCJJ-UHFFFAOYSA-N
MW4883.38 g/mol
LogP80.03
Rot. Bonds28

About 10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;6-[5-(8-carbazol-9-yldibenzofuran-4-yl)pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole;8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[9-[8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-d]pyridazine;8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;6-[5-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;6-[5-(8-carbazol-9-yldibenzofuran-4-yl)pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole;8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[9-[8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-d]pyridazine;8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;6-[5-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 159205335) has the molecular formula C324H182N44O10S and a molecular weight of 4883.38 g/mol. Its IUPAC name is 10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;6-[5-(8-carbazol-9-yldibenzofuran-4-yl)pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole;8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[9-[8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-d]pyridazine;8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;6-[5-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;6-[5-(8-carbazol-9-yldibenzofuran-4-yl)pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole;8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[9-[8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-d]pyridazine;8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;6-[5-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID159205335
Molecular FormulaC324H182N44O10S
Molecular Weight4883.38 g/mol
Exact Mass4879.48
IUPAC Name10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;6-[5-(8-carbazol-9-yldibenzofuran-4-yl)pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole;8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[9-[8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-d]pyridazine;8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;6-[5-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1cc(-n2c3ccccc3c3cc(-c4cc(-n5c6ccnnc6c6nnccc65)cc5c4oc4cnncc45)ccc32)c2sc3ccc(-n4c5ccnnc5c5nnccc54)cc3c2c1.c1cc(-n2c3ccncc3c3cc(-c4cncc5c4oc4ccncc45)ccc32)c2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.c1cc(-n2c3ccncc3c3cnccc32)c2oc3c(-n4c5ccncc5c5cc(-c6cncc7c6oc6ccncc67)ccc54)cccc3c2c1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccn4)ccc2n3-c2ccc3oc4c(-n5c6ccccc6c6cc(-c7ccnc8c7oc7ccc(-n9c%10cccnc%10c%10ncccc%109)nc78)ccc65)cccc4c3c2)nc1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2ncccc2n3-c2ccc3oc4c(-c5ccccc5-n5c6ccc(-c7ccccc7-c7ccccn7)cc6c6ncccc65)cccc4c3c2)nc1.c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3cccnc3n4-c3cccc4c3oc3ccc(-n5c6ccccc6c6cccnc65)cc34)cc12
InChIInChI=1S/C78H45N9O2.C62H38N6O.C50H25N13OS.C46H26N4O2.C45H25N5O2.C43H23N7O2/c1-3-16-53(61-20-7-9-37-79-61)50(14-1)46-26-30-64-58(42-46)59-43-47(51-15-2-4-17-54(51)62-21-8-10-38-80-62)27-31-65(59)85(64)49-29-33-70-60(45-49)56-19-11-23-69(77(56)88-70)86-63-22-6-5-18-55(63)57-44-48(28-32-66(57)86)52-36-41-83-76-75-71(89-78(52)76)34-35-72(84-75)87-67-24-12-39-81-73(67)74-68(87)25-13-40-82-74;1-3-16-44(52-21-7-9-32-63-52)42(14-1)39-26-29-55-50(36-39)60-57(24-12-34-65-60)67(55)41-28-31-59-49(38-41)48-20-11-19-47(62(48)69-59)46-18-5-6-23-54(46)68-56-30-27-40(37-51(56)61-58(68)25-13-35-66-61)43-15-2-4-17-45(43)53-22-8-10-33-64-53;1-2-6-36-29(4-1)32-20-26(31-22-28(23-34-35-24-55-56-25-43(35)64-49(31)34)62-40-14-18-53-59-47(40)48-41(62)15-19-54-60-48)8-10-37(32)63(36)42-7-3-5-30-33-21-27(9-11-44(33)65-50(30)42)61-38-12-16-51-57-45(38)46-39(61)13-17-52-58-46;1-3-13-38-30(8-1)33-11-6-22-47-45(33)49(38)29-18-21-43-37(26-29)32-10-5-14-40(44(32)52-43)50-39-19-16-27(24-35(39)34-12-7-23-48-46(34)50)28-17-20-42-36(25-28)31-9-2-4-15-41(31)51-42;1-3-9-37-28(6-1)29-7-2-4-10-38(29)49(37)27-13-15-42-32(21-27)30-8-5-11-41(45(30)52-42)50-39-14-12-26(20-31(39)34-23-46-18-16-40(34)50)33-22-48-25-36-35-24-47-19-17-43(35)51-44(33)36;1-3-25-26-4-2-6-39(50-36-10-14-45-20-30(36)31-21-46-15-11-37(31)50)43(26)52-42(25)38(5-1)49-34-8-7-24(17-27(34)29-19-44-13-9-35(29)49)28-18-48-23-33-32-22-47-16-12-40(32)51-41(28)33/h1-45H;1-38H;1-25H;1-26H;1-25H;1-23H
InChIKeyKPUROYCQTYMCJJ-UHFFFAOYSA-N
XLogP80.03
TPSA587.12 Ų
H-Bond Donors
H-Bond Acceptors55
Rotatable Bonds28
Heavy Atoms379
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004883.38
LogP ≤ 580.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1055

Analyze 10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;6-[5-(8-carbazol-9-yldibenzofuran-4-yl)pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole;8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[9-[8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-d]pyridazine;8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;6-[5-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;6-[5-(8-carbazol-9-yldibenzofuran-4-yl)pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole;8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[9-[8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-d]pyridazine;8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;6-[5-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;6-[5-(8-carbazol-9-yldibenzofuran-4-yl)pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole;8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[9-[8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-d]pyridazine;8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;6-[5-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 159205335) is 10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;6-[5-(8-carbazol-9-yldibenzofuran-4-yl)pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole;8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[9-[8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-d]pyridazine;8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;6-[5-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;6-[5-(8-carbazol-9-yldibenzofuran-4-yl)pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole;8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[9-[8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-d]pyridazine;8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;6-[5-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;6-[5-(8-carbazol-9-yldibenzofuran-4-yl)pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole;8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[9-[8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-d]pyridazine;8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;6-[5-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is c1cc(-n2c3ccccc3c3cc(-c4cc(-n5c6ccnnc6c6nnccc65)cc5c4oc4cnncc45)ccc32)c2sc3ccc(-n4c5ccnnc5c5nnccc54)cc3c2c1.c1cc(-n2c3ccncc3c3cc(-c4cncc5c4oc4ccncc45)ccc32)c2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.c1cc(-n2c3ccncc3c3cnccc32)c2oc3c(-n4c5ccncc5c5cc(-c6cncc7c6oc6ccncc67)ccc54)cccc3c2c1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccn4)ccc2n3-c2ccc3oc4c(-n5c6ccccc6c6cc(-c7ccnc8c7oc7ccc(-n9c%10cccnc%10c%10ncccc%109)nc78)ccc65)cccc4c3c2)nc1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2ncccc2n3-c2ccc3oc4c(-c5ccccc5-n5c6ccc(-c7ccccc7-c7ccccn7)cc6c6ncccc65)cccc4c3c2)nc1.c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3cccnc3n4-c3cccc4c3oc3ccc(-n5c6ccccc6c6cccnc65)cc34)cc12.
What is the InChIKey of 10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;6-[5-(8-carbazol-9-yldibenzofuran-4-yl)pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole;8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[9-[8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-d]pyridazine;8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;6-[5-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is KPUROYCQTYMCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H45N9O2.C62H38N6O.C50H25N13OS.C46H26N4O2.C45H25N5O2.C43H23N7O2/c1-3-16-53(61-20-7-9-37-79-61)50(14-1)46-26-30-64-58(42-46)59-43-47(51-15-2-4-17-54(51)62-21-8-10-38-80-62)27-31-65(59)85(64)49-29-33-70-60(45-49)56-19-11-23-69(77(56)88-70)86-63-22-6-5-18-55(63)57-44-48(28-32-66(57)86)52-36-41-83-76-75-71(89-78(52)76)34-35-72(84-75)87-67-24-12-39-81-73(67)74-68(87)25-13-40-82-74;1-3-16-44(52-21-7-9-32-63-52)42(14-1)39-26-29-55-50(36-39)60-57(24-12-34-65-60)67(55)41-28-31-59-49(38-41)48-20-11-19-47(62(48)69-59)46-18-5-6-23-54(46)68-56-30-27-40(37-51(56)61-58(68)25-13-35-66-61)43-15-2-4-17-45(43)53-22-8-10-33-64-53;1-2-6-36-29(4-1)32-20-26(31-22-28(23-34-35-24-55-56-25-43(35)64-49(31)34)62-40-14-18-53-59-47(40)48-41(62)15-19-54-60-48)8-10-37(32)63(36)42-7-3-5-30-33-21-27(9-11-44(33)65-50(30)42)61-38-12-16-51-57-45(38)46-39(61)13-17-52-58-46;1-3-13-38-30(8-1)33-11-6-22-47-45(33)49(38)29-18-21-43-37(26-29)32-10-5-14-40(44(32)52-43)50-39-19-16-27(24-35(39)34-12-7-23-48-46(34)50)28-17-20-42-36(25-28)31-9-2-4-15-41(31)51-42;1-3-9-37-28(6-1)29-7-2-4-10-38(29)49(37)27-13-15-42-32(21-27)30-8-5-11-41(45(30)52-42)50-39-14-12-26(20-31(39)34-23-46-18-16-40(34)50)33-22-48-25-36-35-24-47-19-17-43(35)51-44(33)36;1-3-25-26-4-2-6-39(50-36-10-14-45-20-30(36)31-21-46-15-11-37(31)50)43(26)52-42(25)38(5-1)49-34-8-7-24(17-27(34)29-19-44-13-9-35(29)49)28-18-48-23-33-32-22-47-16-12-40(32)51-41(28)33/h1-45H;1-38H;1-25H;1-26H;1-25H;1-23H.
What are the key properties of 10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;6-[5-(8-carbazol-9-yldibenzofuran-4-yl)pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole;8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[9-[8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-d]pyridazine;8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;6-[5-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;6-[5-(8-carbazol-9-yldibenzofuran-4-yl)pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole;8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[9-[8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-d]pyridazine;8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;6-[5-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 4883.38 g/mol, XLogP of 80.03, 28 rotatable bonds, 0 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;6-[5-(8-carbazol-9-yldibenzofuran-4-yl)pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole;8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[9-[8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-d]pyridazine;8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;6-[5-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]pyrido[4,3-b]indol-8-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 159205335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).