5-(4-carbazol-9-ylphenyl)-12-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;6-(4,6-diphenylpyrimidin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole

C304H186N30O6 — CID 158972797

IUPAC5-(4-carbazol-9-ylphenyl)-12-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;6-(4,6-diphenylpyrimidin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3cc4c5ccccc5oc4c4c3c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c5ccccc5oc4c4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc5c6ccccc6oc5c43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4c5oc6ccccc6c5cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)nc(-c3ccccc3)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6oc5c5c4c4ccccc4n5-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc6c7ccccc7oc6c54)ccc32)cc1
InChIInChI=1S/2C54H33N3O.4C49H30N6O/c1-2-14-35(15-3-1)55-48-23-11-6-18-40(48)44-32-34(26-31-50(44)55)43-33-45-41-19-8-13-25-51(41)58-54(45)53-52(43)42-20-7-12-24-49(42)57(53)37-29-27-36(28-30-37)56-46-21-9-4-16-38(46)39-17-5-10-22-47(39)56;1-2-14-35(15-3-1)55-48-23-11-6-18-40(48)44-32-37(30-31-50(44)55)57-49-24-12-7-20-42(49)52-43(33-45-41-19-8-13-25-51(41)58-54(45)53(52)57)34-26-28-36(29-27-34)56-46-21-9-4-16-38(46)39-17-5-10-22-47(39)56;1-5-17-31(18-6-1)39-30-40(51-46(50-39)32-19-7-2-8-20-32)38-29-37-35-25-14-16-28-42(35)56-45(37)44-43(38)36-26-13-15-27-41(36)55(44)49-53-47(33-21-9-3-10-22-33)52-48(54-49)34-23-11-4-12-24-34;1-5-17-31(18-6-1)39-30-40(32-19-7-2-8-20-32)51-48(50-39)38-29-37-35-25-14-16-28-42(35)56-45(37)43-36-26-13-15-27-41(36)55(44(38)43)49-53-46(33-21-9-3-10-22-33)52-47(54-49)34-23-11-4-12-24-34;1-5-17-31(18-6-1)39-30-42(51-46(50-39)32-19-7-2-8-20-32)55-40-27-15-13-26-36(40)43-44(55)38(29-37-35-25-14-16-28-41(35)56-45(37)43)49-53-47(33-21-9-3-10-22-33)52-48(54-49)34-23-11-4-12-24-34;1-5-17-31(18-6-1)39-30-42(51-46(50-39)32-19-7-2-8-20-32)55-40-27-15-13-26-36(40)43-38(29-37-35-25-14-16-28-41(35)56-45(37)44(43)55)49-53-47(33-21-9-3-10-22-33)52-48(54-49)34-23-11-4-12-24-34/h2*1-33H;4*1-30H
InChIKeyJOAKFZXEOQKSMV-UHFFFAOYSA-N
MW4355.04 g/mol
LogP77.06
Rot. Bonds32

About 5-(4-carbazol-9-ylphenyl)-12-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;6-(4,6-diphenylpyrimidin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole

5-(4-carbazol-9-ylphenyl)-12-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;6-(4,6-diphenylpyrimidin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 158972797) has the molecular formula C304H186N30O6 and a molecular weight of 4355.04 g/mol. Its IUPAC name is 5-(4-carbazol-9-ylphenyl)-12-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;6-(4,6-diphenylpyrimidin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-(4-carbazol-9-ylphenyl)-12-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;6-(4,6-diphenylpyrimidin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole
PubChem CID158972797
Molecular FormulaC304H186N30O6
Molecular Weight4355.04 g/mol
Exact Mass4351.52
IUPAC Name5-(4-carbazol-9-ylphenyl)-12-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;6-(4,6-diphenylpyrimidin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3cc4c5ccccc5oc4c4c3c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c5ccccc5oc4c4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc5c6ccccc6oc5c43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4c5oc6ccccc6c5cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)nc(-c3ccccc3)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6oc5c5c4c4ccccc4n5-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc6c7ccccc7oc6c54)ccc32)cc1
InChIInChI=1S/2C54H33N3O.4C49H30N6O/c1-2-14-35(15-3-1)55-48-23-11-6-18-40(48)44-32-34(26-31-50(44)55)43-33-45-41-19-8-13-25-51(41)58-54(45)53-52(43)42-20-7-12-24-49(42)57(53)37-29-27-36(28-30-37)56-46-21-9-4-16-38(46)39-17-5-10-22-47(39)56;1-2-14-35(15-3-1)55-48-23-11-6-18-40(48)44-32-37(30-31-50(44)55)57-49-24-12-7-20-42(49)52-43(33-45-41-19-8-13-25-51(41)58-54(45)53(52)57)34-26-28-36(29-27-34)56-46-21-9-4-16-38(46)39-17-5-10-22-47(39)56;1-5-17-31(18-6-1)39-30-40(51-46(50-39)32-19-7-2-8-20-32)38-29-37-35-25-14-16-28-42(35)56-45(37)44-43(38)36-26-13-15-27-41(36)55(44)49-53-47(33-21-9-3-10-22-33)52-48(54-49)34-23-11-4-12-24-34;1-5-17-31(18-6-1)39-30-40(32-19-7-2-8-20-32)51-48(50-39)38-29-37-35-25-14-16-28-42(35)56-45(37)43-36-26-13-15-27-41(36)55(44(38)43)49-53-46(33-21-9-3-10-22-33)52-47(54-49)34-23-11-4-12-24-34;1-5-17-31(18-6-1)39-30-42(51-46(50-39)32-19-7-2-8-20-32)55-40-27-15-13-26-36(40)43-44(55)38(29-37-35-25-14-16-28-41(35)56-45(37)43)49-53-47(33-21-9-3-10-22-33)52-48(54-49)34-23-11-4-12-24-34;1-5-17-31(18-6-1)39-30-42(51-46(50-39)32-19-7-2-8-20-32)55-40-27-15-13-26-36(40)43-38(29-37-35-25-14-16-28-41(35)56-45(37)44(43)55)49-53-47(33-21-9-3-10-22-33)52-48(54-49)34-23-11-4-12-24-34/h2*1-33H;4*1-30H
InChIKeyJOAKFZXEOQKSMV-UHFFFAOYSA-N
XLogP77.06
TPSA385.94 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds32
Heavy Atoms340
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004355.04
LogP ≤ 577.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 5-(4-carbazol-9-ylphenyl)-12-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;6-(4,6-diphenylpyrimidin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252675
5-[4-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 146407363
5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-9-phenylcarbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 161393143
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 158508454
5-dibenzofuran-2-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 134252535
5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252605
5-[4-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 146407362
5-dibenzothiophen-2-yl-12-(2,6-diphenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole
CID 134252561
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]carbazole
CID 134252545
5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 126656557
5-[3-(9-phenylcarbazol-3-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-[4-(9-phenylcarbazol-2-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-[4-(9-phenylcarbazol-3-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;6-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 159057836
12-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-a]carbazole
CID 138649917

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbazol-9-ylphenyl)-12-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;6-(4,6-diphenylpyrimidin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-(4-carbazol-9-ylphenyl)-12-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;6-(4,6-diphenylpyrimidin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole (CID 158972797) is 5-(4-carbazol-9-ylphenyl)-12-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;6-(4,6-diphenylpyrimidin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-(4-carbazol-9-ylphenyl)-12-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;6-(4,6-diphenylpyrimidin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-(4-carbazol-9-ylphenyl)-12-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;6-(4,6-diphenylpyrimidin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2cc(-c3cc4c5ccccc5oc4c4c3c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c5ccccc5oc4c4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc5c6ccccc6oc5c43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4c5oc6ccccc6c5cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)nc(-c3ccccc3)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6oc5c5c4c4ccccc4n5-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc6c7ccccc7oc6c54)ccc32)cc1.
What is the InChIKey of 5-(4-carbazol-9-ylphenyl)-12-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;6-(4,6-diphenylpyrimidin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is JOAKFZXEOQKSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H33N3O.4C49H30N6O/c1-2-14-35(15-3-1)55-48-23-11-6-18-40(48)44-32-34(26-31-50(44)55)43-33-45-41-19-8-13-25-51(41)58-54(45)53-52(43)42-20-7-12-24-49(42)57(53)37-29-27-36(28-30-37)56-46-21-9-4-16-38(46)39-17-5-10-22-47(39)56;1-2-14-35(15-3-1)55-48-23-11-6-18-40(48)44-32-37(30-31-50(44)55)57-49-24-12-7-20-42(49)52-43(33-45-41-19-8-13-25-51(41)58-54(45)53(52)57)34-26-28-36(29-27-34)56-46-21-9-4-16-38(46)39-17-5-10-22-47(39)56;1-5-17-31(18-6-1)39-30-40(51-46(50-39)32-19-7-2-8-20-32)38-29-37-35-25-14-16-28-42(35)56-45(37)44-43(38)36-26-13-15-27-41(36)55(44)49-53-47(33-21-9-3-10-22-33)52-48(54-49)34-23-11-4-12-24-34;1-5-17-31(18-6-1)39-30-40(32-19-7-2-8-20-32)51-48(50-39)38-29-37-35-25-14-16-28-42(35)56-45(37)43-36-26-13-15-27-41(36)55(44(38)43)49-53-46(33-21-9-3-10-22-33)52-47(54-49)34-23-11-4-12-24-34;1-5-17-31(18-6-1)39-30-42(51-46(50-39)32-19-7-2-8-20-32)55-40-27-15-13-26-36(40)43-44(55)38(29-37-35-25-14-16-28-41(35)56-45(37)43)49-53-47(33-21-9-3-10-22-33)52-48(54-49)34-23-11-4-12-24-34;1-5-17-31(18-6-1)39-30-42(51-46(50-39)32-19-7-2-8-20-32)55-40-27-15-13-26-36(40)43-38(29-37-35-25-14-16-28-41(35)56-45(37)44(43)55)49-53-47(33-21-9-3-10-22-33)52-48(54-49)34-23-11-4-12-24-34/h2*1-33H;4*1-30H.
What are the key properties of 5-(4-carbazol-9-ylphenyl)-12-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;6-(4,6-diphenylpyrimidin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole?
5-(4-carbazol-9-ylphenyl)-12-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;6-(4,6-diphenylpyrimidin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole has a molecular weight of 4355.04 g/mol, XLogP of 77.06, 32 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbazol-9-ylphenyl)-12-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;6-(4,6-diphenylpyrimidin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 158972797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).