7-[5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-2-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-3,6-diphenylcarbazole

C334H217N37O6 — CID 158987954

IUPAC7-[5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-2-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-3,6-diphenylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ncc(-c2ccccc2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cnc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cnc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cnc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cnc(-n3c4ccccc4c4ccccc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)cnc3-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cnc3-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)n2)cc1
InChIInChI=1S/2C56H32N6O2.C50H33N5.C46H41N5.2C44H27N5O.C38H25N5/c1-3-15-33(16-4-1)53-58-54(34-17-5-2-6-18-34)60-55(59-53)44-27-35(61-45-23-11-7-19-36(45)40-28-42-38-21-9-13-25-49(38)63-51(42)30-47(40)61)32-57-56(44)62-46-24-12-8-20-37(46)41-29-43-39-22-10-14-26-50(39)64-52(43)31-48(41)62;1-3-15-33(16-4-1)53-58-54(34-17-5-2-6-18-34)60-55(59-53)40-31-35(61-41-23-11-7-19-36(41)49-43(61)27-29-47-51(49)38-21-9-13-25-45(38)63-47)32-57-56(40)62-42-24-12-8-20-37(42)50-44(62)28-30-48-52(50)39-22-10-14-26-46(39)64-48;1-6-16-34(17-7-1)39-26-28-45-42(30-39)43-31-40(35-18-8-2-9-19-35)27-29-46(43)55(45)50-44(32-41(33-51-50)36-20-10-3-11-21-36)49-53-47(37-22-12-4-13-23-37)52-48(54-49)38-24-14-5-15-25-38;1-45(2,3)34-22-24-39-36(27-34)37-28-35(46(4,5)6)23-25-40(37)51(39)44-38(26-33(29-47-44)30-16-10-7-11-17-30)43-49-41(31-18-12-8-13-19-31)48-42(50-43)32-20-14-9-15-21-32;1-4-14-28(15-5-1)31-24-36(43-47-41(29-16-6-2-7-17-29)46-42(48-43)30-18-8-3-9-19-30)44(45-27-31)49-37-22-12-10-20-32(37)34-26-40-35(25-38(34)49)33-21-11-13-23-39(33)50-40;1-4-14-28(15-5-1)31-26-35(43-47-41(29-16-6-2-7-17-29)46-42(48-43)30-18-8-3-9-19-30)44(45-27-31)49-36-22-12-10-20-32(36)33-24-25-38-39(40(33)49)34-21-11-13-23-37(34)50-38;1-4-14-26(15-5-1)29-24-32(38(39-25-29)43-33-22-12-10-20-30(33)31-21-11-13-23-34(31)43)37-41-35(27-16-6-2-7-17-27)40-36(42-37)28-18-8-3-9-19-28/h2*1-32H;1-33H;7-29H,1-6H3;2*1-27H;1-25H
InChIKeyJPUOMXJSWZNWRQ-UHFFFAOYSA-N
MW4844.66 g/mol
LogP83.41
Rot. Bonds37

About 7-[5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-2-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-3,6-diphenylcarbazole

7-[5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-2-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-3,6-diphenylcarbazole (PubChem CID 158987954) has the molecular formula C334H217N37O6 and a molecular weight of 4844.66 g/mol. Its IUPAC name is 7-[5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-2-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name7-[5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-2-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-3,6-diphenylcarbazole
PubChem CID158987954
Molecular FormulaC334H217N37O6
Molecular Weight4844.66 g/mol
Exact Mass4840.78
IUPAC Name7-[5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-2-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-3,6-diphenylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ncc(-c2ccccc2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cnc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cnc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cnc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cnc(-n3c4ccccc4c4ccccc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)cnc3-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cnc3-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)n2)cc1
InChIInChI=1S/2C56H32N6O2.C50H33N5.C46H41N5.2C44H27N5O.C38H25N5/c1-3-15-33(16-4-1)53-58-54(34-17-5-2-6-18-34)60-55(59-53)44-27-35(61-45-23-11-7-19-36(45)40-28-42-38-21-9-13-25-49(38)63-51(42)30-47(40)61)32-57-56(44)62-46-24-12-8-20-37(46)41-29-43-39-22-10-14-26-50(39)64-52(43)31-48(41)62;1-3-15-33(16-4-1)53-58-54(34-17-5-2-6-18-34)60-55(59-53)40-31-35(61-41-23-11-7-19-36(41)49-43(61)27-29-47-51(49)38-21-9-13-25-45(38)63-47)32-57-56(40)62-42-24-12-8-20-37(42)50-44(62)28-30-48-52(50)39-22-10-14-26-46(39)64-48;1-6-16-34(17-7-1)39-26-28-45-42(30-39)43-31-40(35-18-8-2-9-19-35)27-29-46(43)55(45)50-44(32-41(33-51-50)36-20-10-3-11-21-36)49-53-47(37-22-12-4-13-23-37)52-48(54-49)38-24-14-5-15-25-38;1-45(2,3)34-22-24-39-36(27-34)37-28-35(46(4,5)6)23-25-40(37)51(39)44-38(26-33(29-47-44)30-16-10-7-11-17-30)43-49-41(31-18-12-8-13-19-31)48-42(50-43)32-20-14-9-15-21-32;1-4-14-28(15-5-1)31-24-36(43-47-41(29-16-6-2-7-17-29)46-42(48-43)30-18-8-3-9-19-30)44(45-27-31)49-37-22-12-10-20-32(37)34-26-40-35(25-38(34)49)33-21-11-13-23-39(33)50-40;1-4-14-28(15-5-1)31-26-35(43-47-41(29-16-6-2-7-17-29)46-42(48-43)30-18-8-3-9-19-30)44(45-27-31)49-36-22-12-10-20-32(36)33-24-25-38-39(40(33)49)34-21-11-13-23-37(34)50-38;1-4-14-26(15-5-1)29-24-32(38(39-25-29)43-33-22-12-10-20-30(33)31-21-11-13-23-34(31)43)37-41-35(27-16-6-2-7-17-27)40-36(42-37)28-18-8-3-9-19-28/h2*1-32H;1-33H;7-29H,1-6H3;2*1-27H;1-25H
InChIKeyJPUOMXJSWZNWRQ-UHFFFAOYSA-N
XLogP83.41
TPSA484.13 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds37
Heavy Atoms377
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004844.66
LogP ≤ 583.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze 7-[5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-2-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-3,6-diphenylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-2-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-3,6-diphenylcarbazole?
The IUPAC name of 7-[5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-2-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-3,6-diphenylcarbazole (CID 158987954) is 7-[5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-2-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 7-[5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-2-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-3,6-diphenylcarbazole?
The canonical SMILES for 7-[5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-2-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-3,6-diphenylcarbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ncc(-c2ccccc2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cnc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cnc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cnc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cnc(-n3c4ccccc4c4ccccc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)cnc3-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cnc3-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)n2)cc1.
What is the InChIKey of 7-[5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-2-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-3,6-diphenylcarbazole?
The InChIKey is JPUOMXJSWZNWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H32N6O2.C50H33N5.C46H41N5.2C44H27N5O.C38H25N5/c1-3-15-33(16-4-1)53-58-54(34-17-5-2-6-18-34)60-55(59-53)44-27-35(61-45-23-11-7-19-36(45)40-28-42-38-21-9-13-25-49(38)63-51(42)30-47(40)61)32-57-56(44)62-46-24-12-8-20-37(46)41-29-43-39-22-10-14-26-50(39)64-52(43)31-48(41)62;1-3-15-33(16-4-1)53-58-54(34-17-5-2-6-18-34)60-55(59-53)40-31-35(61-41-23-11-7-19-36(41)49-43(61)27-29-47-51(49)38-21-9-13-25-45(38)63-47)32-57-56(40)62-42-24-12-8-20-37(42)50-44(62)28-30-48-52(50)39-22-10-14-26-46(39)64-48;1-6-16-34(17-7-1)39-26-28-45-42(30-39)43-31-40(35-18-8-2-9-19-35)27-29-46(43)55(45)50-44(32-41(33-51-50)36-20-10-3-11-21-36)49-53-47(37-22-12-4-13-23-37)52-48(54-49)38-24-14-5-15-25-38;1-45(2,3)34-22-24-39-36(27-34)37-28-35(46(4,5)6)23-25-40(37)51(39)44-38(26-33(29-47-44)30-16-10-7-11-17-30)43-49-41(31-18-12-8-13-19-31)48-42(50-43)32-20-14-9-15-21-32;1-4-14-28(15-5-1)31-24-36(43-47-41(29-16-6-2-7-17-29)46-42(48-43)30-18-8-3-9-19-30)44(45-27-31)49-37-22-12-10-20-32(37)34-26-40-35(25-38(34)49)33-21-11-13-23-39(33)50-40;1-4-14-28(15-5-1)31-26-35(43-47-41(29-16-6-2-7-17-29)46-42(48-43)30-18-8-3-9-19-30)44(45-27-31)49-36-22-12-10-20-32(36)33-24-25-38-39(40(33)49)34-21-11-13-23-37(34)50-38;1-4-14-26(15-5-1)29-24-32(38(39-25-29)43-33-22-12-10-20-30(33)31-21-11-13-23-34(31)43)37-41-35(27-16-6-2-7-17-27)40-36(42-37)28-18-8-3-9-19-28/h2*1-32H;1-33H;7-29H,1-6H3;2*1-27H;1-25H.
What are the key properties of 7-[5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-2-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-3,6-diphenylcarbazole?
7-[5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-2-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-3,6-diphenylcarbazole has a molecular weight of 4844.66 g/mol, XLogP of 83.41, 37 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-2-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 158987954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).