N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(2-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)aniline

C268H174N8O4 — CID 158468213

IUPACN-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(2-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)aniline
SMILESc1cc(-c2cc3ccccc3c3ccccc23)cc(N(c2ccc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)cc2)c2ccccc2-c2cccc3oc4ccccc4c23)c1.c1cc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccccc4-c4cccc5oc6ccccc6c45)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc4-c4cccc5oc6ccccc6c45)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2ccc(-c3ccc(N(c4ccccc4-c4cc5ccccc5c5ccccc45)c4ccccc4-c4cccc5oc6ccccc6c45)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/3C68H44N2O.C64H42N2O/c1-2-20-52-49(17-1)44-61(54-22-4-3-21-53(52)54)58-26-8-13-32-65(58)69(64-31-12-7-25-57(64)59-28-16-34-67-68(59)60-27-9-14-33-66(60)71-67)50-41-39-46(40-42-50)45-35-37-47(38-36-45)48-18-15-19-51(43-48)70-62-29-10-5-23-55(62)56-24-6-11-30-63(56)70;1-2-21-54-50(16-1)44-62(56-23-4-3-22-55(54)56)49-18-14-19-52(43-49)69(63-29-9-7-26-59(63)60-28-15-33-67-68(60)61-27-8-12-32-66(61)71-67)51-40-38-46(39-41-51)45-34-36-47(37-35-45)48-17-13-20-53(42-48)70-64-30-10-5-24-57(64)58-25-6-11-31-65(58)70;1-2-18-54-50(15-1)44-62(56-20-4-3-19-55(54)56)48-37-41-52(42-38-48)69(63-26-9-7-23-59(63)60-25-14-30-67-68(60)61-24-8-12-29-66(61)71-67)51-39-35-46(36-40-51)45-31-33-47(34-32-45)49-16-13-17-53(43-49)70-64-27-10-5-21-57(64)58-22-6-11-28-65(58)70;1-2-14-48-41-50(32-31-43(48)13-1)47-35-39-52(40-36-47)65(59-22-7-5-19-56(59)57-21-12-26-63-64(57)58-20-6-10-25-62(58)67-63)51-37-33-45(34-38-51)44-27-29-46(30-28-44)49-15-11-16-53(42-49)66-60-23-8-3-17-54(60)55-18-4-9-24-61(55)66/h3*1-44H;1-42H
InChIKeyHGAHHSODJJFCLP-UHFFFAOYSA-N
MW3570.39 g/mol
LogP75.36
Rot. Bonds32

About N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(2-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)aniline

N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(2-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)aniline (PubChem CID 158468213) has the molecular formula C268H174N8O4 and a molecular weight of 3570.39 g/mol. Its IUPAC name is N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(2-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(2-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)aniline
PubChem CID158468213
Molecular FormulaC268H174N8O4
Molecular Weight3570.39 g/mol
Exact Mass3567.37
IUPAC NameN-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(2-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)aniline
SMILESc1cc(-c2cc3ccccc3c3ccccc23)cc(N(c2ccc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)cc2)c2ccccc2-c2cccc3oc4ccccc4c23)c1.c1cc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccccc4-c4cccc5oc6ccccc6c45)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc4-c4cccc5oc6ccccc6c45)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2ccc(-c3ccc(N(c4ccccc4-c4cc5ccccc5c5ccccc45)c4ccccc4-c4cccc5oc6ccccc6c45)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/3C68H44N2O.C64H42N2O/c1-2-20-52-49(17-1)44-61(54-22-4-3-21-53(52)54)58-26-8-13-32-65(58)69(64-31-12-7-25-57(64)59-28-16-34-67-68(59)60-27-9-14-33-66(60)71-67)50-41-39-46(40-42-50)45-35-37-47(38-36-45)48-18-15-19-51(43-48)70-62-29-10-5-23-55(62)56-24-6-11-30-63(56)70;1-2-21-54-50(16-1)44-62(56-23-4-3-22-55(54)56)49-18-14-19-52(43-49)69(63-29-9-7-26-59(63)60-28-15-33-67-68(60)61-27-8-12-32-66(61)71-67)51-40-38-46(39-41-51)45-34-36-47(37-35-45)48-17-13-20-53(42-48)70-64-30-10-5-24-57(64)58-25-6-11-31-65(58)70;1-2-18-54-50(15-1)44-62(56-20-4-3-19-55(54)56)48-37-41-52(42-38-48)69(63-26-9-7-23-59(63)60-25-14-30-67-68(60)61-24-8-12-29-66(61)71-67)51-39-35-46(36-40-51)45-31-33-47(34-32-45)49-16-13-17-53(43-49)70-64-27-10-5-21-57(64)58-22-6-11-28-65(58)70;1-2-14-48-41-50(32-31-43(48)13-1)47-35-39-52(40-36-47)65(59-22-7-5-19-56(59)57-21-12-26-63-64(57)58-20-6-10-25-62(58)67-63)51-37-33-45(34-38-51)44-27-29-46(30-28-44)49-15-11-16-53(42-49)66-60-23-8-3-17-54(60)55-18-4-9-24-61(55)66/h3*1-44H;1-42H
InChIKeyHGAHHSODJJFCLP-UHFFFAOYSA-N
XLogP75.36
TPSA85.24 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds32
Heavy Atoms280
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003570.39
LogP ≤ 575.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(2-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)aniline with MolForge

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Related Compounds

N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-9-ylaniline
CID 155649226
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 146719839
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline
CID 155398217
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 155398358
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[2-(2-phenylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(2-phenylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 162216331
N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(3-phenanthren-2-ylphenyl)aniline
CID 155398314
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(4-phenylphenyl)phenyl]aniline
CID 155398509
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(3-phenanthren-2-ylphenyl)aniline
CID 153314580
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 153314660
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline
CID 155398770
N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325919
N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 155398735

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(2-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)aniline?
The IUPAC name of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(2-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)aniline (CID 158468213) is N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(2-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)aniline.
What is the SMILES notation for N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(2-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)aniline?
The canonical SMILES for N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(2-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)aniline is c1cc(-c2cc3ccccc3c3ccccc23)cc(N(c2ccc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)cc2)c2ccccc2-c2cccc3oc4ccccc4c23)c1.c1cc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccccc4-c4cccc5oc6ccccc6c45)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc4-c4cccc5oc6ccccc6c45)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2ccc(-c3ccc(N(c4ccccc4-c4cc5ccccc5c5ccccc45)c4ccccc4-c4cccc5oc6ccccc6c45)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(2-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)aniline?
The InChIKey is HGAHHSODJJFCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C68H44N2O.C64H42N2O/c1-2-20-52-49(17-1)44-61(54-22-4-3-21-53(52)54)58-26-8-13-32-65(58)69(64-31-12-7-25-57(64)59-28-16-34-67-68(59)60-27-9-14-33-66(60)71-67)50-41-39-46(40-42-50)45-35-37-47(38-36-45)48-18-15-19-51(43-48)70-62-29-10-5-23-55(62)56-24-6-11-30-63(56)70;1-2-21-54-50(16-1)44-62(56-23-4-3-22-55(54)56)49-18-14-19-52(43-49)69(63-29-9-7-26-59(63)60-28-15-33-67-68(60)61-27-8-12-32-66(61)71-67)51-40-38-46(39-41-51)45-34-36-47(37-35-45)48-17-13-20-53(42-48)70-64-30-10-5-24-57(64)58-25-6-11-31-65(58)70;1-2-18-54-50(15-1)44-62(56-20-4-3-19-55(54)56)48-37-41-52(42-38-48)69(63-26-9-7-23-59(63)60-25-14-30-67-68(60)61-24-8-12-29-66(61)71-67)51-39-35-46(36-40-51)45-31-33-47(34-32-45)49-16-13-17-53(43-49)70-64-27-10-5-21-57(64)58-22-6-11-28-65(58)70;1-2-14-48-41-50(32-31-43(48)13-1)47-35-39-52(40-36-47)65(59-22-7-5-19-56(59)57-21-12-26-63-64(57)58-20-6-10-25-62(58)67-63)51-37-33-45(34-38-51)44-27-29-46(30-28-44)49-15-11-16-53(42-49)66-60-23-8-3-17-54(60)55-18-4-9-24-61(55)66/h3*1-44H;1-42H.
What are the key properties of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(2-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)aniline?
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(2-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)aniline has a molecular weight of 3570.39 g/mol, XLogP of 75.36, 32 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(2-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)aniline is sourced from PubChem (CID 158468213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).