2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole

C204H121N17O6S — CID 163669765

IUPAC2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5oc6cc7c(cc6c5c4)c4ccccc4n7-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4ccc5oc6cc7c(cc6c5c4)c4ccccc4n7-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4ccc5oc6cc7c(cc6c5c4)c4ccccc4n7-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc4oc5cc6c(cc5c4c3)c3ccccc3n6-c3ccccc3)n2)cc1
InChIInChI=1S/C57H35N5O.2C51H30N4O2.C45H26N4OS/c1-3-14-36(15-4-1)38-26-28-39(29-27-38)55-58-56(60-57(59-55)62-50-24-11-7-20-43(50)44-21-8-12-25-51(44)62)41-30-31-53-47(33-41)48-34-46-45-22-9-10-23-49(45)61(52(46)35-54(48)63-53)42-19-13-18-40(32-42)37-16-5-2-6-17-37;1-3-12-31(13-4-1)32-14-11-15-33(26-32)49-52-50(34-22-24-46-40(27-34)38-19-8-10-21-45(38)56-46)54-51(53-49)35-23-25-47-41(28-35)42-29-39-37-18-7-9-20-43(37)55(36-16-5-2-6-17-36)44(39)30-48(42)57-47;1-3-11-31(12-4-1)32-19-21-33(22-20-32)49-52-50(34-23-25-46-40(27-34)38-16-8-10-18-45(38)56-46)54-51(53-49)35-24-26-47-41(28-35)42-29-39-37-15-7-9-17-43(37)55(36-13-5-2-6-14-36)44(39)30-48(42)57-47;1-3-11-27(12-4-1)43-46-44(48-45(47-43)29-19-21-33-32-16-8-10-18-41(32)51-42(33)24-29)28-20-22-39-35(23-28)36-25-34-31-15-7-9-17-37(31)49(30-13-5-2-6-14-30)38(34)26-40(36)50-39/h1-35H;2*1-30H;1-26H
InChIKeyJBMNKGZHPGTSOO-UHFFFAOYSA-N
MW2938.39 g/mol
LogP53.74
Rot. Bonds20

About 2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole

2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole (PubChem CID 163669765) has the molecular formula C204H121N17O6S and a molecular weight of 2938.39 g/mol. Its IUPAC name is 2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
PubChem CID163669765
Molecular FormulaC204H121N17O6S
Molecular Weight2938.39 g/mol
Exact Mass2935.94
IUPAC Name2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5oc6cc7c(cc6c5c4)c4ccccc4n7-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4ccc5oc6cc7c(cc6c5c4)c4ccccc4n7-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4ccc5oc6cc7c(cc6c5c4)c4ccccc4n7-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc4oc5cc6c(cc5c4c3)c3ccccc3n6-c3ccccc3)n2)cc1
InChIInChI=1S/C57H35N5O.2C51H30N4O2.C45H26N4OS/c1-3-14-36(15-4-1)38-26-28-39(29-27-38)55-58-56(60-57(59-55)62-50-24-11-7-20-43(50)44-21-8-12-25-51(44)62)41-30-31-53-47(33-41)48-34-46-45-22-9-10-23-49(45)61(52(46)35-54(48)63-53)42-19-13-18-40(32-42)37-16-5-2-6-17-37;1-3-12-31(13-4-1)32-14-11-15-33(26-32)49-52-50(34-22-24-46-40(27-34)38-19-8-10-21-45(38)56-46)54-51(53-49)35-23-25-47-41(28-35)42-29-39-37-18-7-9-20-43(37)55(36-16-5-2-6-17-36)44(39)30-48(42)57-47;1-3-11-31(12-4-1)32-19-21-33(22-20-32)49-52-50(34-23-25-46-40(27-34)38-16-8-10-18-45(38)56-46)54-51(53-49)35-24-26-47-41(28-35)42-29-39-37-15-7-9-17-43(37)55(36-13-5-2-6-14-36)44(39)30-48(42)57-47;1-3-11-27(12-4-1)43-46-44(48-45(47-43)29-19-21-33-32-16-8-10-18-41(32)51-42(33)24-29)28-20-22-39-35(23-28)36-25-34-31-15-7-9-17-37(31)49(30-13-5-2-6-14-30)38(34)26-40(36)50-39/h1-35H;2*1-30H;1-26H
InChIKeyJBMNKGZHPGTSOO-UHFFFAOYSA-N
XLogP53.74
TPSA258.17 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002938.39
LogP ≤ 553.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole with MolForge

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Related Compounds

9-[3-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162780092
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 159253152
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;2-phenyl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165082275
9-[3-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 176831517
4-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163887704
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 158229198
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 157163023
3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)-[1]benzofuro[3,2-b]carbazole;3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole;3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3-phenylphenyl)-[1]benzofuro[3,2-b]carbazole
CID 163946850
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-phenylcarbazol-9-yl)-[1]benzofuro[2,3-b]carbazole
CID 155006709
3-dibenzofuran-2-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-2-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 159859933
6-dibenzothiophen-3-yl-9-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162705083
7-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 163573968

Frequently Asked Questions

What is the IUPAC name of 2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole (CID 163669765) is 2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc5oc6cc7c(cc6c5c4)c4ccccc4n7-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4ccc5oc6cc7c(cc6c5c4)c4ccccc4n7-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4ccc5oc6cc7c(cc6c5c4)c4ccccc4n7-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc4oc5cc6c(cc5c4c3)c3ccccc3n6-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The InChIKey is JBMNKGZHPGTSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O.2C51H30N4O2.C45H26N4OS/c1-3-14-36(15-4-1)38-26-28-39(29-27-38)55-58-56(60-57(59-55)62-50-24-11-7-20-43(50)44-21-8-12-25-51(44)62)41-30-31-53-47(33-41)48-34-46-45-22-9-10-23-49(45)61(52(46)35-54(48)63-53)42-19-13-18-40(32-42)37-16-5-2-6-17-37;1-3-12-31(13-4-1)32-14-11-15-33(26-32)49-52-50(34-22-24-46-40(27-34)38-19-8-10-21-45(38)56-46)54-51(53-49)35-23-25-47-41(28-35)42-29-39-37-18-7-9-20-43(37)55(36-16-5-2-6-17-36)44(39)30-48(42)57-47;1-3-11-31(12-4-1)32-19-21-33(22-20-32)49-52-50(34-23-25-46-40(27-34)38-16-8-10-18-45(38)56-46)54-51(53-49)35-24-26-47-41(28-35)42-29-39-37-15-7-9-17-43(37)55(36-13-5-2-6-14-36)44(39)30-48(42)57-47;1-3-11-27(12-4-1)43-46-44(48-45(47-43)29-19-21-33-32-16-8-10-18-41(32)51-42(33)24-29)28-20-22-39-35(23-28)36-25-34-31-15-7-9-17-37(31)49(30-13-5-2-6-14-30)38(34)26-40(36)50-39/h1-35H;2*1-30H;1-26H.
What are the key properties of 2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole?
2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole has a molecular weight of 2938.39 g/mol, XLogP of 53.74, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 163669765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).