3,6-ditert-butyl-9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-dimethylcarbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole

C402H270N50O2 — CID 158339463

IUPAC3,6-ditert-butyl-9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-dimethylcarbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccncc3)nc(-c3ccncc3)n2)cc1-c1ccccc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccncc3)nc(-c3ccncc3)n2)cc1-c1ccccc1.c1ccc(-c2cc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1.c1ccc(-c2cc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1.c1ccc(-c2cc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc1.c1ccc(-c2cc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc1.c1ccc(-c2cc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)cc2-c2ccccc2)cc1
InChIInChI=1S/2C55H35N7.C55H36N6.C51H44N6.2C49H30N6O.C45H32N6.C43H28N6/c1-4-14-36(15-5-1)45-34-40(55-59-53(38-26-30-56-31-27-38)58-54(60-55)39-28-32-57-33-29-39)35-46(37-16-6-2-7-17-37)51(45)62-47-22-12-10-20-42(47)43-24-25-49-50(52(43)62)44-21-11-13-23-48(44)61(49)41-18-8-3-9-19-41;1-4-14-36(15-5-1)45-34-40(55-59-53(38-26-30-56-31-27-38)58-54(60-55)39-28-32-57-33-29-39)35-46(37-16-6-2-7-17-37)51(45)62-48-23-13-11-21-44(48)50-49(62)25-24-43-42-20-10-12-22-47(42)61(52(43)50)41-18-8-3-9-19-41;1-5-13-37(14-6-1)43-21-23-50-48(33-43)49-34-44(38-15-7-2-8-16-38)22-24-51(49)61(50)52-46(39-17-9-3-10-18-39)35-45(36-47(52)40-19-11-4-12-20-40)55-59-53(41-25-29-56-30-26-41)58-54(60-55)42-27-31-57-32-28-42;1-50(2,3)38-17-19-44-42(31-38)43-32-39(51(4,5)6)18-20-45(43)57(44)46-40(33-13-9-7-10-14-33)29-37(30-41(46)34-15-11-8-12-16-34)49-55-47(35-21-25-52-26-22-35)54-48(56-49)36-23-27-53-28-24-36;1-3-11-31(12-4-1)39-29-35(49-53-47(33-21-25-50-26-22-33)52-48(54-49)34-23-27-51-28-24-34)30-40(32-13-5-2-6-14-32)45(39)55-41-17-9-7-16-38(41)44-42(55)20-19-37-36-15-8-10-18-43(36)56-46(37)44;1-3-11-31(12-4-1)39-29-35(49-53-47(33-21-25-50-26-22-33)52-48(54-49)34-23-27-51-28-24-34)30-40(32-13-5-2-6-14-32)45(39)55-41-17-9-7-15-36(41)37-19-20-43-44(46(37)55)38-16-8-10-18-42(38)56-43;1-29-13-15-40-38(25-29)39-26-30(2)14-16-41(39)51(40)42-36(31-9-5-3-6-10-31)27-35(28-37(42)32-11-7-4-8-12-32)45-49-43(33-17-21-46-22-18-33)48-44(50-45)34-19-23-47-24-20-34;1-3-11-29(12-4-1)36-27-33(43-47-41(31-19-23-44-24-20-31)46-42(48-43)32-21-25-45-26-22-32)28-37(30-13-5-2-6-14-30)40(36)49-38-17-9-7-15-34(38)35-16-8-10-18-39(35)49/h2*1-35H;1-36H;7-32H,1-6H3;2*1-30H;3-28H,1-2H3;1-28H
InChIKeyGQZBOQBYKQJYFB-UHFFFAOYSA-N
MW5832.93 g/mol
LogP97.29
Rot. Bonds52

About 3,6-ditert-butyl-9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-dimethylcarbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole

3,6-ditert-butyl-9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-dimethylcarbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole (PubChem CID 158339463) has the molecular formula C402H270N50O2 and a molecular weight of 5832.93 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-dimethylcarbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-dimethylcarbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole
PubChem CID158339463
Molecular FormulaC402H270N50O2
Molecular Weight5832.93 g/mol
Exact Mass5828.26
IUPAC Name3,6-ditert-butyl-9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-dimethylcarbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccncc3)nc(-c3ccncc3)n2)cc1-c1ccccc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccncc3)nc(-c3ccncc3)n2)cc1-c1ccccc1.c1ccc(-c2cc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1.c1ccc(-c2cc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1.c1ccc(-c2cc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc1.c1ccc(-c2cc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc1.c1ccc(-c2cc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)cc2-c2ccccc2)cc1
InChIInChI=1S/2C55H35N7.C55H36N6.C51H44N6.2C49H30N6O.C45H32N6.C43H28N6/c1-4-14-36(15-5-1)45-34-40(55-59-53(38-26-30-56-31-27-38)58-54(60-55)39-28-32-57-33-29-39)35-46(37-16-6-2-7-17-37)51(45)62-47-22-12-10-20-42(47)43-24-25-49-50(52(43)62)44-21-11-13-23-48(44)61(49)41-18-8-3-9-19-41;1-4-14-36(15-5-1)45-34-40(55-59-53(38-26-30-56-31-27-38)58-54(60-55)39-28-32-57-33-29-39)35-46(37-16-6-2-7-17-37)51(45)62-48-23-13-11-21-44(48)50-49(62)25-24-43-42-20-10-12-22-47(42)61(52(43)50)41-18-8-3-9-19-41;1-5-13-37(14-6-1)43-21-23-50-48(33-43)49-34-44(38-15-7-2-8-16-38)22-24-51(49)61(50)52-46(39-17-9-3-10-18-39)35-45(36-47(52)40-19-11-4-12-20-40)55-59-53(41-25-29-56-30-26-41)58-54(60-55)42-27-31-57-32-28-42;1-50(2,3)38-17-19-44-42(31-38)43-32-39(51(4,5)6)18-20-45(43)57(44)46-40(33-13-9-7-10-14-33)29-37(30-41(46)34-15-11-8-12-16-34)49-55-47(35-21-25-52-26-22-35)54-48(56-49)36-23-27-53-28-24-36;1-3-11-31(12-4-1)39-29-35(49-53-47(33-21-25-50-26-22-33)52-48(54-49)34-23-27-51-28-24-34)30-40(32-13-5-2-6-14-32)45(39)55-41-17-9-7-16-38(41)44-42(55)20-19-37-36-15-8-10-18-43(36)56-46(37)44;1-3-11-31(12-4-1)39-29-35(49-53-47(33-21-25-50-26-22-33)52-48(54-49)34-23-27-51-28-24-34)30-40(32-13-5-2-6-14-32)45(39)55-41-17-9-7-15-36(41)37-19-20-43-44(46(37)55)38-16-8-10-18-42(38)56-43;1-29-13-15-40-38(25-29)39-26-30(2)14-16-41(39)51(40)42-36(31-9-5-3-6-10-31)27-35(28-37(42)32-11-7-4-8-12-32)45-49-43(33-17-21-46-22-18-33)48-44(50-45)34-19-23-47-24-20-34;1-3-11-29(12-4-1)36-27-33(43-47-41(31-19-23-44-24-20-31)46-42(48-43)32-21-25-45-26-22-32)28-37(30-13-5-2-6-14-30)40(36)49-38-17-9-7-15-34(38)35-16-8-10-18-39(35)49/h2*1-35H;1-36H;7-32H,1-6H3;2*1-30H;3-28H,1-2H3;1-28H
InChIKeyGQZBOQBYKQJYFB-UHFFFAOYSA-N
XLogP97.29
TPSA591.18 Ų
H-Bond Donors
H-Bond Acceptors52
Rotatable Bonds52
Heavy Atoms454
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005832.93
LogP ≤ 597.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1052

Analyze 3,6-ditert-butyl-9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-dimethylcarbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-dimethylcarbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 3,6-ditert-butyl-9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-dimethylcarbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole (CID 158339463) is 3,6-ditert-butyl-9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-dimethylcarbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-dimethylcarbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-dimethylcarbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccncc3)nc(-c3ccncc3)n2)cc1-c1ccccc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccncc3)nc(-c3ccncc3)n2)cc1-c1ccccc1.c1ccc(-c2cc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1.c1ccc(-c2cc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1.c1ccc(-c2cc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc1.c1ccc(-c2cc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc1.c1ccc(-c2cc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)cc2-c2ccccc2)cc1.
What is the InChIKey of 3,6-ditert-butyl-9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-dimethylcarbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole?
The InChIKey is GQZBOQBYKQJYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H35N7.C55H36N6.C51H44N6.2C49H30N6O.C45H32N6.C43H28N6/c1-4-14-36(15-5-1)45-34-40(55-59-53(38-26-30-56-31-27-38)58-54(60-55)39-28-32-57-33-29-39)35-46(37-16-6-2-7-17-37)51(45)62-47-22-12-10-20-42(47)43-24-25-49-50(52(43)62)44-21-11-13-23-48(44)61(49)41-18-8-3-9-19-41;1-4-14-36(15-5-1)45-34-40(55-59-53(38-26-30-56-31-27-38)58-54(60-55)39-28-32-57-33-29-39)35-46(37-16-6-2-7-17-37)51(45)62-48-23-13-11-21-44(48)50-49(62)25-24-43-42-20-10-12-22-47(42)61(52(43)50)41-18-8-3-9-19-41;1-5-13-37(14-6-1)43-21-23-50-48(33-43)49-34-44(38-15-7-2-8-16-38)22-24-51(49)61(50)52-46(39-17-9-3-10-18-39)35-45(36-47(52)40-19-11-4-12-20-40)55-59-53(41-25-29-56-30-26-41)58-54(60-55)42-27-31-57-32-28-42;1-50(2,3)38-17-19-44-42(31-38)43-32-39(51(4,5)6)18-20-45(43)57(44)46-40(33-13-9-7-10-14-33)29-37(30-41(46)34-15-11-8-12-16-34)49-55-47(35-21-25-52-26-22-35)54-48(56-49)36-23-27-53-28-24-36;1-3-11-31(12-4-1)39-29-35(49-53-47(33-21-25-50-26-22-33)52-48(54-49)34-23-27-51-28-24-34)30-40(32-13-5-2-6-14-32)45(39)55-41-17-9-7-16-38(41)44-42(55)20-19-37-36-15-8-10-18-43(36)56-46(37)44;1-3-11-31(12-4-1)39-29-35(49-53-47(33-21-25-50-26-22-33)52-48(54-49)34-23-27-51-28-24-34)30-40(32-13-5-2-6-14-32)45(39)55-41-17-9-7-15-36(41)37-19-20-43-44(46(37)55)38-16-8-10-18-42(38)56-43;1-29-13-15-40-38(25-29)39-26-30(2)14-16-41(39)51(40)42-36(31-9-5-3-6-10-31)27-35(28-37(42)32-11-7-4-8-12-32)45-49-43(33-17-21-46-22-18-33)48-44(50-45)34-19-23-47-24-20-34;1-3-11-29(12-4-1)36-27-33(43-47-41(31-19-23-44-24-20-31)46-42(48-43)32-21-25-45-26-22-32)28-37(30-13-5-2-6-14-30)40(36)49-38-17-9-7-15-34(38)35-16-8-10-18-39(35)49/h2*1-35H;1-36H;7-32H,1-6H3;2*1-30H;3-28H,1-2H3;1-28H.
What are the key properties of 3,6-ditert-butyl-9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-dimethylcarbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole?
3,6-ditert-butyl-9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-dimethylcarbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole has a molecular weight of 5832.93 g/mol, XLogP of 97.29, 52 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-dimethylcarbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 158339463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).