2-N-dibenzofuran-4-yl-7-N-naphthalen-1-yl-2-N-naphthalen-2-yl-7-N-[3-(N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[3-(N-(3-dibenzothiophen-4-ylphenyl)anilino)phenyl]-7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine

C197H133N9OS6 — CID 157346259

About 2-N-dibenzofuran-4-yl-7-N-naphthalen-1-yl-2-N-naphthalen-2-yl-7-N-[3-(N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[3-(N-(3-dibenzothiophen-4-ylphenyl)anilino)phenyl]-7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine

2-N-dibenzofuran-4-yl-7-N-naphthalen-1-yl-2-N-naphthalen-2-yl-7-N-[3-(N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[3-(N-(3-dibenzothiophen-4-ylphenyl)anilino)phenyl]-7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine (PubChem CID 157346259) has the molecular formula C197H133N9OS6 and a molecular weight of 2839.73 g/mol. Its IUPAC name is 2-N-dibenzofuran-4-yl-7-N-naphthalen-1-yl-2-N-naphthalen-2-yl-7-N-[3-(N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[3-(N-(3-dibenzothiophen-4-ylphenyl)anilino)phenyl]-7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine.

Molecular Properties

• Compound Name: 2-N-dibenzofuran-4-yl-7-N-naphthalen-1-yl-2-N-naphthalen-2-yl-7-N-[3-(N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[3-(N-(3-dibenzothiophen-4-ylphenyl)anilino)phenyl]-7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine
• PubChem CID: 157346259
• Molecular Formula: C197H133N9OS6
• Molecular Weight: 2839.73 g/mol
• Exact Mass: 2836.93
• IUPAC Name: 2-N-dibenzofuran-4-yl-7-N-naphthalen-1-yl-2-N-naphthalen-2-yl-7-N-[3-(N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[3-(N-(3-dibenzothiophen-4-ylphenyl)anilino)phenyl]-7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3cccc(N(c4ccccc4)c4cccc(-c5cccc6c5sc5ccccc56)c4)c3)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)cc21.[2H]c1c([2H])c([2H])c(N(c2ccccc2)c2cccc(N(c3ccc4c(c3)sc3ccc(N(c5ccc6ccccc6c5)c5cccc6c5oc5ccccc56)cc34)c3cccc4ccccc34)c2)c([2H])c1[2H].c1ccc(-c2ccc(N(c3cccc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)c3)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cc34)cc2)cc1
• InChI: InChI=1S/C69H49N3S2.C66H43N3S3.C62H41N3OS/c1-69(2)63-33-14-12-29-57(63)58-38-35-54(44-64(58)69)72(55-36-39-60-62-43-53(37-40-66(62)73-67(60)45-55)70(47-20-6-3-7-21-47)48-22-8-4-9-23-48)52-28-17-27-51(42-52)71(49-24-10-5-11-25-49)50-26-16-19-46(41-50)56-31-18-32-61-59-30-13-15-34-65(59)74-68(56)61;1-4-15-44(16-5-1)45-27-29-48(30-28-45)69(50-22-14-21-49(39-50)67(46-17-6-2-7-18-46)51-32-36-63-58(40-51)55-23-10-12-25-61(55)70-63)54-31-35-57-60-42-53(34-38-65(60)72-66(57)43-54)68(47-19-8-3-9-20-47)52-33-37-64-59(41-52)56-24-11-13-26-62(56)71-64;1-3-20-45(21-4-1)63(46-22-5-2-6-23-46)47-24-14-25-48(39-47)64(57-29-13-19-43-17-9-10-26-52(43)57)51-34-36-54-56-40-50(35-37-60(56)67-61(54)41-51)65(49-33-32-42-16-7-8-18-44(42)38-49)58-30-15-28-55-53-27-11-12-31-59(53)66-62(55)58/h3-45H,1-2H3;1-43H;1-41H/i;;1D,3D,4D,20D,21D
• InChIKey: BGZUMMCRLPXCSW-UGHKYSFUSA-N
• XLogP: 60.34
• TPSA: 42.30 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 29
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2839.73
LogP ≤ 5	60.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-N-dibenzofuran-4-yl-7-N-naphthalen-1-yl-2-N-naphthalen-2-yl-7-N-[3-(N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[3-(N-(3-dibenzothiophen-4-ylphenyl)anilino)phenyl]-7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine?

The IUPAC name of 2-N-dibenzofuran-4-yl-7-N-naphthalen-1-yl-2-N-naphthalen-2-yl-7-N-[3-(N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[3-(N-(3-dibenzothiophen-4-ylphenyl)anilino)phenyl]-7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine (CID 157346259) is 2-N-dibenzofuran-4-yl-7-N-naphthalen-1-yl-2-N-naphthalen-2-yl-7-N-[3-(N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[3-(N-(3-dibenzothiophen-4-ylphenyl)anilino)phenyl]-7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine.

What is the SMILES notation for 2-N-dibenzofuran-4-yl-7-N-naphthalen-1-yl-2-N-naphthalen-2-yl-7-N-[3-(N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[3-(N-(3-dibenzothiophen-4-ylphenyl)anilino)phenyl]-7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine?

The canonical SMILES for 2-N-dibenzofuran-4-yl-7-N-naphthalen-1-yl-2-N-naphthalen-2-yl-7-N-[3-(N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[3-(N-(3-dibenzothiophen-4-ylphenyl)anilino)phenyl]-7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(N(c4ccccc4)c4cccc(-c5cccc6c5sc5ccccc56)c4)c3)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)cc21.[2H]c1c([2H])c([2H])c(N(c2ccccc2)c2cccc(N(c3ccc4c(c3)sc3ccc(N(c5ccc6ccccc6c5)c5cccc6c5oc5ccccc56)cc34)c3cccc4ccccc34)c2)c([2H])c1[2H].c1ccc(-c2ccc(N(c3cccc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)c3)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cc34)cc2)cc1.

What is the InChIKey of 2-N-dibenzofuran-4-yl-7-N-naphthalen-1-yl-2-N-naphthalen-2-yl-7-N-[3-(N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[3-(N-(3-dibenzothiophen-4-ylphenyl)anilino)phenyl]-7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine?

The InChIKey is BGZUMMCRLPXCSW-UGHKYSFUSA-N. The full InChI is InChI=1S/C69H49N3S2.C66H43N3S3.C62H41N3OS/c1-69(2)63-33-14-12-29-57(63)58-38-35-54(44-64(58)69)72(55-36-39-60-62-43-53(37-40-66(62)73-67(60)45-55)70(47-20-6-3-7-21-47)48-22-8-4-9-23-48)52-28-17-27-51(42-52)71(49-24-10-5-11-25-49)50-26-16-19-46(41-50)56-31-18-32-61-59-30-13-15-34-65(59)74-68(56)61;1-4-15-44(16-5-1)45-27-29-48(30-28-45)69(50-22-14-21-49(39-50)67(46-17-6-2-7-18-46)51-32-36-63-58(40-51)55-23-10-12-25-61(55)70-63)54-31-35-57-60-42-53(34-38-65(60)72-66(57)43-54)68(47-19-8-3-9-20-47)52-33-37-64-59(41-52)56-24-11-13-26-62(56)71-64;1-3-20-45(21-4-1)63(46-22-5-2-6-23-46)47-24-14-25-48(39-47)64(57-29-13-19-43-17-9-10-26-52(43)57)51-34-36-54-56-40-50(35-37-60(56)67-61(54)41-51)65(49-33-32-42-16-7-8-18-44(42)38-49)58-30-15-28-55-53-27-11-12-31-59(53)66-62(55)58/h3-45H,1-2H3;1-43H;1-41H/i;;1D,3D,4D,20D,21D.

What are the key properties of 2-N-dibenzofuran-4-yl-7-N-naphthalen-1-yl-2-N-naphthalen-2-yl-7-N-[3-(N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[3-(N-(3-dibenzothiophen-4-ylphenyl)anilino)phenyl]-7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine?

2-N-dibenzofuran-4-yl-7-N-naphthalen-1-yl-2-N-naphthalen-2-yl-7-N-[3-(N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[3-(N-(3-dibenzothiophen-4-ylphenyl)anilino)phenyl]-7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine has a molecular weight of 2839.73 g/mol, XLogP of 60.34, 29 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-dibenzofuran-4-yl-7-N-naphthalen-1-yl-2-N-naphthalen-2-yl-7-N-[3-(N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[3-(N-(3-dibenzothiophen-4-ylphenyl)anilino)phenyl]-7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine is sourced from PubChem (CID 157346259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).