[9-[4-([1]benzofuro[2,3-b]indol-6-yl)phenyl]carbazol-3-yl]-triphenylsilane;6-(4-carbazol-9-ylphenyl)-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-difluoro-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-dimethyl-[1]benzofuro[2,3-b]indole;6-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole

C272H174F4N12O6Si — CID 167553384

IUPAC[9-[4-([1]benzofuro[2,3-b]indol-6-yl)phenyl]carbazol-3-yl]-triphenylsilane;6-(4-carbazol-9-ylphenyl)-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-difluoro-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-dimethyl-[1]benzofuro[2,3-b]indole;6-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole
SMILESCc1ccc2oc3c(c2c1)c1cc(C)ccc1n3-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1.Fc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3c4cc(-c5ccccc5)ccc4oc32)cc1.Fc1ccc2oc3c(c2c1)c1cc(F)ccc1n3-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3c4cc(-c5ccccc5)ccc4oc32)cc1.c1ccc(-c2ccc3oc4c(c3c2)c2cc(-c3ccccc3)ccc2n4-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3c4ccccc4c4c5ccccc5oc43)cc2)cc1
InChIInChI=1S/C50H34N2OSi.C46H32N2O.2C44H26F2N2O.2C44H28N2O/c1-4-16-37(17-5-1)54(38-18-6-2-7-19-38,39-20-8-3-9-21-39)40-32-33-47-44(34-40)41-22-10-13-25-45(41)51(47)35-28-30-36(31-29-35)52-46-26-14-11-23-42(46)49-43-24-12-15-27-48(43)53-50(49)52;1-29-13-21-43-39(25-29)45-40-26-30(2)14-24-44(40)49-46(45)48(43)36-19-17-35(18-20-36)47-41-22-15-33(31-9-5-3-6-10-31)27-37(41)38-28-34(16-23-42(38)47)32-11-7-4-8-12-32;45-31-13-20-39-35(25-31)36-26-32(46)14-21-40(36)47(39)33-15-17-34(18-16-33)48-41-19-11-29(27-7-3-1-4-8-27)23-37(41)43-38-24-30(28-9-5-2-6-10-28)12-22-42(38)49-44(43)48;45-31-13-21-41-37(25-31)43-38-26-32(46)14-22-42(38)49-44(43)48(41)34-17-15-33(16-18-34)47-39-19-11-29(27-7-3-1-4-8-27)23-35(39)36-24-30(12-20-40(36)47)28-9-5-2-6-10-28;2*1-3-11-29(12-4-1)31-19-25-41-37(27-31)43-38-28-32(30-13-5-2-6-14-30)20-26-42(38)47-44(43)46(41)34-23-21-33(22-24-34)45-39-17-9-7-15-35(39)36-16-8-10-18-40(36)45/h1-34H;3-28H,1-2H3;2*1-26H;2*1-28H/i;;;;7D,8D,9D,10D,15D,16D,17D,18D;
InChIKeyCRUISUXPOUOJQF-FDLXEVBZSA-N
MW3818.59 g/mol
LogP70.98
Rot. Bonds26

About [9-[4-([1]benzofuro[2,3-b]indol-6-yl)phenyl]carbazol-3-yl]-triphenylsilane;6-(4-carbazol-9-ylphenyl)-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-difluoro-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-dimethyl-[1]benzofuro[2,3-b]indole;6-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole

[9-[4-([1]benzofuro[2,3-b]indol-6-yl)phenyl]carbazol-3-yl]-triphenylsilane;6-(4-carbazol-9-ylphenyl)-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-difluoro-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-dimethyl-[1]benzofuro[2,3-b]indole;6-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole (PubChem CID 167553384) has the molecular formula C272H174F4N12O6Si and a molecular weight of 3818.59 g/mol. Its IUPAC name is [9-[4-([1]benzofuro[2,3-b]indol-6-yl)phenyl]carbazol-3-yl]-triphenylsilane;6-(4-carbazol-9-ylphenyl)-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-difluoro-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-dimethyl-[1]benzofuro[2,3-b]indole;6-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name[9-[4-([1]benzofuro[2,3-b]indol-6-yl)phenyl]carbazol-3-yl]-triphenylsilane;6-(4-carbazol-9-ylphenyl)-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-difluoro-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-dimethyl-[1]benzofuro[2,3-b]indole;6-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole
PubChem CID167553384
Molecular FormulaC272H174F4N12O6Si
Molecular Weight3818.59 g/mol
Exact Mass3815.39
IUPAC Name[9-[4-([1]benzofuro[2,3-b]indol-6-yl)phenyl]carbazol-3-yl]-triphenylsilane;6-(4-carbazol-9-ylphenyl)-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-difluoro-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-dimethyl-[1]benzofuro[2,3-b]indole;6-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole
SMILESCc1ccc2oc3c(c2c1)c1cc(C)ccc1n3-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1.Fc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3c4cc(-c5ccccc5)ccc4oc32)cc1.Fc1ccc2oc3c(c2c1)c1cc(F)ccc1n3-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3c4cc(-c5ccccc5)ccc4oc32)cc1.c1ccc(-c2ccc3oc4c(c3c2)c2cc(-c3ccccc3)ccc2n4-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3c4ccccc4c4c5ccccc5oc43)cc2)cc1
InChIInChI=1S/C50H34N2OSi.C46H32N2O.2C44H26F2N2O.2C44H28N2O/c1-4-16-37(17-5-1)54(38-18-6-2-7-19-38,39-20-8-3-9-21-39)40-32-33-47-44(34-40)41-22-10-13-25-45(41)51(47)35-28-30-36(31-29-35)52-46-26-14-11-23-42(46)49-43-24-12-15-27-48(43)53-50(49)52;1-29-13-21-43-39(25-29)45-40-26-30(2)14-24-44(40)49-46(45)48(43)36-19-17-35(18-20-36)47-41-22-15-33(31-9-5-3-6-10-31)27-37(41)38-28-34(16-23-42(38)47)32-11-7-4-8-12-32;45-31-13-20-39-35(25-31)36-26-32(46)14-21-40(36)47(39)33-15-17-34(18-16-33)48-41-19-11-29(27-7-3-1-4-8-27)23-37(41)43-38-24-30(28-9-5-2-6-10-28)12-22-42(38)49-44(43)48;45-31-13-21-41-37(25-31)43-38-26-32(46)14-22-42(38)49-44(43)48(41)34-17-15-33(16-18-34)47-39-19-11-29(27-7-3-1-4-8-27)23-35(39)36-24-30(12-20-40(36)47)28-9-5-2-6-10-28;2*1-3-11-29(12-4-1)31-19-25-41-37(27-31)43-38-28-32(30-13-5-2-6-14-30)20-26-42(38)47-44(43)46(41)34-23-21-33(22-24-34)45-39-17-9-7-15-35(39)36-16-8-10-18-40(36)45/h1-34H;3-28H,1-2H3;2*1-26H;2*1-28H/i;;;;7D,8D,9D,10D,15D,16D,17D,18D;
InChIKeyCRUISUXPOUOJQF-FDLXEVBZSA-N
XLogP70.98
TPSA138.00 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms295
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003818.59
LogP ≤ 570.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze [9-[4-([1]benzofuro[2,3-b]indol-6-yl)phenyl]carbazol-3-yl]-triphenylsilane;6-(4-carbazol-9-ylphenyl)-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-difluoro-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-dimethyl-[1]benzofuro[2,3-b]indole;6-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of [9-[4-([1]benzofuro[2,3-b]indol-6-yl)phenyl]carbazol-3-yl]-triphenylsilane;6-(4-carbazol-9-ylphenyl)-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-difluoro-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-dimethyl-[1]benzofuro[2,3-b]indole;6-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole?
The IUPAC name of [9-[4-([1]benzofuro[2,3-b]indol-6-yl)phenyl]carbazol-3-yl]-triphenylsilane;6-(4-carbazol-9-ylphenyl)-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-difluoro-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-dimethyl-[1]benzofuro[2,3-b]indole;6-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole (CID 167553384) is [9-[4-([1]benzofuro[2,3-b]indol-6-yl)phenyl]carbazol-3-yl]-triphenylsilane;6-(4-carbazol-9-ylphenyl)-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-difluoro-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-dimethyl-[1]benzofuro[2,3-b]indole;6-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for [9-[4-([1]benzofuro[2,3-b]indol-6-yl)phenyl]carbazol-3-yl]-triphenylsilane;6-(4-carbazol-9-ylphenyl)-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-difluoro-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-dimethyl-[1]benzofuro[2,3-b]indole;6-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole?
The canonical SMILES for [9-[4-([1]benzofuro[2,3-b]indol-6-yl)phenyl]carbazol-3-yl]-triphenylsilane;6-(4-carbazol-9-ylphenyl)-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-difluoro-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-dimethyl-[1]benzofuro[2,3-b]indole;6-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole is Cc1ccc2oc3c(c2c1)c1cc(C)ccc1n3-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1.Fc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3c4cc(-c5ccccc5)ccc4oc32)cc1.Fc1ccc2oc3c(c2c1)c1cc(F)ccc1n3-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3c4cc(-c5ccccc5)ccc4oc32)cc1.c1ccc(-c2ccc3oc4c(c3c2)c2cc(-c3ccccc3)ccc2n4-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3c4ccccc4c4c5ccccc5oc43)cc2)cc1.
What is the InChIKey of [9-[4-([1]benzofuro[2,3-b]indol-6-yl)phenyl]carbazol-3-yl]-triphenylsilane;6-(4-carbazol-9-ylphenyl)-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-difluoro-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-dimethyl-[1]benzofuro[2,3-b]indole;6-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole?
The InChIKey is CRUISUXPOUOJQF-FDLXEVBZSA-N. The full InChI is InChI=1S/C50H34N2OSi.C46H32N2O.2C44H26F2N2O.2C44H28N2O/c1-4-16-37(17-5-1)54(38-18-6-2-7-19-38,39-20-8-3-9-21-39)40-32-33-47-44(34-40)41-22-10-13-25-45(41)51(47)35-28-30-36(31-29-35)52-46-26-14-11-23-42(46)49-43-24-12-15-27-48(43)53-50(49)52;1-29-13-21-43-39(25-29)45-40-26-30(2)14-24-44(40)49-46(45)48(43)36-19-17-35(18-20-36)47-41-22-15-33(31-9-5-3-6-10-31)27-37(41)38-28-34(16-23-42(38)47)32-11-7-4-8-12-32;45-31-13-20-39-35(25-31)36-26-32(46)14-21-40(36)47(39)33-15-17-34(18-16-33)48-41-19-11-29(27-7-3-1-4-8-27)23-37(41)43-38-24-30(28-9-5-2-6-10-28)12-22-42(38)49-44(43)48;45-31-13-21-41-37(25-31)43-38-26-32(46)14-22-42(38)49-44(43)48(41)34-17-15-33(16-18-34)47-39-19-11-29(27-7-3-1-4-8-27)23-35(39)36-24-30(12-20-40(36)47)28-9-5-2-6-10-28;2*1-3-11-29(12-4-1)31-19-25-41-37(27-31)43-38-28-32(30-13-5-2-6-14-30)20-26-42(38)47-44(43)46(41)34-23-21-33(22-24-34)45-39-17-9-7-15-35(39)36-16-8-10-18-40(36)45/h1-34H;3-28H,1-2H3;2*1-26H;2*1-28H/i;;;;7D,8D,9D,10D,15D,16D,17D,18D;.
What are the key properties of [9-[4-([1]benzofuro[2,3-b]indol-6-yl)phenyl]carbazol-3-yl]-triphenylsilane;6-(4-carbazol-9-ylphenyl)-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-difluoro-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-dimethyl-[1]benzofuro[2,3-b]indole;6-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole?
[9-[4-([1]benzofuro[2,3-b]indol-6-yl)phenyl]carbazol-3-yl]-triphenylsilane;6-(4-carbazol-9-ylphenyl)-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-difluoro-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-dimethyl-[1]benzofuro[2,3-b]indole;6-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole has a molecular weight of 3818.59 g/mol, XLogP of 70.98, 26 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[4-([1]benzofuro[2,3-b]indol-6-yl)phenyl]carbazol-3-yl]-triphenylsilane;6-(4-carbazol-9-ylphenyl)-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-difluoro-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-2,9-dimethyl-[1]benzofuro[2,3-b]indole;6-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2,9-diphenyl-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 167553384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).