N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-3-amine

C173H122N4O2S3 — CID 161474432

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-3-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5ccccc45)cc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)sc4ccccc45)cc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc3)ccc21.c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C48H31NO2.2C43H31NS.C39H29NS/c1-3-11-32(12-4-1)36-27-37(33-13-5-2-6-14-33)29-40(28-36)49(39-24-25-43-41-15-7-9-17-45(41)51-48(43)31-39)38-22-19-34(20-23-38)35-21-26-47-44(30-35)42-16-8-10-18-46(42)50-47;1-43(2)38-15-7-5-13-34(38)37-26-30(20-25-39(37)43)28-18-21-31(22-19-28)44(40-16-9-11-29-10-3-4-12-33(29)40)32-23-24-36-35-14-6-8-17-41(35)45-42(36)27-32;1-43(2)39-13-7-5-11-35(39)38-26-31(18-24-40(38)43)29-15-19-32(20-16-29)44(33-21-17-28-9-3-4-10-30(28)25-33)34-22-23-37-36-12-6-8-14-41(36)45-42(37)27-34;1-39(2)35-14-8-6-12-31(35)34-24-27(18-23-36(34)39)26-16-19-29(20-17-26)40(28-10-4-3-5-11-28)30-21-22-33-32-13-7-9-15-37(32)41-38(33)25-30/h1-31H;2*3-27H,1-2H3;3-25H,1-2H3
InChIKeyWDNGLMVVMSXVIS-UHFFFAOYSA-N
MW2385.11 g/mol
LogP50.76
Rot. Bonds18

About N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-3-amine

N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-3-amine (PubChem CID 161474432) has the molecular formula C173H122N4O2S3 and a molecular weight of 2385.11 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-3-amine
PubChem CID161474432
Molecular FormulaC173H122N4O2S3
Molecular Weight2385.11 g/mol
Exact Mass2382.87
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-3-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5ccccc45)cc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)sc4ccccc45)cc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc3)ccc21.c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C48H31NO2.2C43H31NS.C39H29NS/c1-3-11-32(12-4-1)36-27-37(33-13-5-2-6-14-33)29-40(28-36)49(39-24-25-43-41-15-7-9-17-45(41)51-48(43)31-39)38-22-19-34(20-23-38)35-21-26-47-44(30-35)42-16-8-10-18-46(42)50-47;1-43(2)38-15-7-5-13-34(38)37-26-30(20-25-39(37)43)28-18-21-31(22-19-28)44(40-16-9-11-29-10-3-4-12-33(29)40)32-23-24-36-35-14-6-8-17-41(35)45-42(36)27-32;1-43(2)39-13-7-5-11-35(39)38-26-31(18-24-40(38)43)29-15-19-32(20-16-29)44(33-21-17-28-9-3-4-10-30(28)25-33)34-22-23-37-36-12-6-8-14-41(36)45-42(37)27-34;1-39(2)35-14-8-6-12-31(35)34-24-27(18-23-36(34)39)26-16-19-29(20-17-26)40(28-10-4-3-5-11-28)30-21-22-33-32-13-7-9-15-37(32)41-38(33)25-30/h1-31H;2*3-27H,1-2H3;3-25H,1-2H3
InChIKeyWDNGLMVVMSXVIS-UHFFFAOYSA-N
XLogP50.76
TPSA39.24 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms182
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002385.11
LogP ≤ 550.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-3-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-4-(9,9-dimethylfluoren-3-yl)-N-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine
CID 161220626
5-dibenzofuran-3-yl-1-N,3-N-bis(naphtho[2,3-b][1]benzothiol-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-dibenzofuran-3-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine;5-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 159702533
8-[2-[3-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(9,9-dimethylfluoren-3-yl)dibenzofuran-1-amine;N-(3-dibenzofuran-3-ylphenyl)-7-[2-[2-[4-(4-dibenzothiophen-2-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-2-amine;N-dibenzothiophen-2-yl-7-[4-(4-dibenzothiophen-2-yl-N-dibenzothiophen-3-ylanilino)-3-(3-phenylphenyl)phenyl]-N-phenyldibenzofuran-1-amine
CID 167602152
bis(4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline);N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3,5-diphenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)naphthalen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 158888724
N-(9,9-dimethylfluoren-3-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(9,9-dimethylfluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-3-amine;9,9-dimethyl-N-naphthalen-1-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine;9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-3-amine
CID 165064992
N-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 159845485
1-N-dibenzofuran-3-yl-5-dibenzothiophen-2-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-di(dibenzofuran-3-yl)-5-dibenzothiophen-2-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-5-(4-phenyldibenzothiophen-2-yl)benzene-1,3-diamine
CID 158012265
2-N-dibenzofuran-3-yl-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenylfluorene-2,7-diamine;2-N-dibenzothiophen-3-yl-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;7-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 159611762
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-2-amine;N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine;N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-phenyldibenzothiophen-2-amine;N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-4-amine
CID 158349506
7-N-dibenzofuran-3-yl-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;7-N-dibenzothiophen-3-yl-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157280557
N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-dibenzothiophen-3-yl-N,22-diphenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-22-phenyl-N-(3-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-naphthalen-2-yl-22-phenyl-N-(4-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(4-phenylphenyl)-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]naphthalen-1-amine;N-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]dibenzothiophen-3-amine
CID 158006340
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline
CID 168839696

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-3-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-3-amine (CID 161474432) is N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-3-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-3-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-3-amine is CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5ccccc45)cc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)sc4ccccc45)cc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc3)ccc21.c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c(c3)oc3ccccc34)c2)cc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-3-amine?
The InChIKey is WDNGLMVVMSXVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO2.2C43H31NS.C39H29NS/c1-3-11-32(12-4-1)36-27-37(33-13-5-2-6-14-33)29-40(28-36)49(39-24-25-43-41-15-7-9-17-45(41)51-48(43)31-39)38-22-19-34(20-23-38)35-21-26-47-44(30-35)42-16-8-10-18-46(42)50-47;1-43(2)38-15-7-5-13-34(38)37-26-30(20-25-39(37)43)28-18-21-31(22-19-28)44(40-16-9-11-29-10-3-4-12-33(29)40)32-23-24-36-35-14-6-8-17-41(35)45-42(36)27-32;1-43(2)39-13-7-5-11-35(39)38-26-31(18-24-40(38)43)29-15-19-32(20-16-29)44(33-21-17-28-9-3-4-10-30(28)25-33)34-22-23-37-36-12-6-8-14-41(36)45-42(37)27-34;1-39(2)35-14-8-6-12-31(35)34-24-27(18-23-36(34)39)26-16-19-29(20-17-26)40(28-10-4-3-5-11-28)30-21-22-33-32-13-7-9-15-37(32)41-38(33)25-30/h1-31H;2*3-27H,1-2H3;3-25H,1-2H3.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-3-amine?
N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-3-amine has a molecular weight of 2385.11 g/mol, XLogP of 50.76, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-3-amine is sourced from PubChem (CID 161474432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).