7-N-(4-tert-butylphenyl)-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,7-N-diphenyldibenzofuran-1,7-diamine;7-[4-(N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]-N,N-diphenyldibenzothiophen-1-amine;7-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N,7-N-triphenyldibenzothiophene-1,7-diamine;N-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-phenyl-7-[4-(N-phenylanilino)phenyl]dibenzothiophen-1-amine;4-N-(4-dibenzothiophen-3-ylphenyl)-2-N,2-N,4-N-triphenyldibenzofuran-2,4-diamine;methane;1-N,7-N,7-N-triphenyl-1-N-[4-(7-phenyldibenzofuran-2-yl)phenyl]dibenzothiophene-1,7-diamine

C317H220N12O5S7 — CID 167623460

About 7-N-(4-tert-butylphenyl)-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,7-N-diphenyldibenzofuran-1,7-diamine;7-[4-(N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]-N,N-diphenyldibenzothiophen-1-amine;7-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N,7-N-triphenyldibenzothiophene-1,7-diamine;N-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-phenyl-7-[4-(N-phenylanilino)phenyl]dibenzothiophen-1-amine;4-N-(4-dibenzothiophen-3-ylphenyl)-2-N,2-N,4-N-triphenyldibenzofuran-2,4-diamine;methane;1-N,7-N,7-N-triphenyl-1-N-[4-(7-phenyldibenzofuran-2-yl)phenyl]dibenzothiophene-1,7-diamine

7-N-(4-tert-butylphenyl)-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,7-N-diphenyldibenzofuran-1,7-diamine;7-[4-(N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]-N,N-diphenyldibenzothiophen-1-amine;7-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N,7-N-triphenyldibenzothiophene-1,7-diamine;N-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-phenyl-7-[4-(N-phenylanilino)phenyl]dibenzothiophen-1-amine;4-N-(4-dibenzothiophen-3-ylphenyl)-2-N,2-N,4-N-triphenyldibenzofuran-2,4-diamine;methane;1-N,7-N,7-N-triphenyl-1-N-[4-(7-phenyldibenzofuran-2-yl)phenyl]dibenzothiophene-1,7-diamine (PubChem CID 167623460) has the molecular formula C317H220N12O5S7 and a molecular weight of 4501.79 g/mol. Its IUPAC name is 7-N-(4-tert-butylphenyl)-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,7-N-diphenyldibenzofuran-1,7-diamine;7-[4-(N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]-N,N-diphenyldibenzothiophen-1-amine;7-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N,7-N-triphenyldibenzothiophene-1,7-diamine;N-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-phenyl-7-[4-(N-phenylanilino)phenyl]dibenzothiophen-1-amine;4-N-(4-dibenzothiophen-3-ylphenyl)-2-N,2-N,4-N-triphenyldibenzofuran-2,4-diamine;methane;1-N,7-N,7-N-triphenyl-1-N-[4-(7-phenyldibenzofuran-2-yl)phenyl]dibenzothiophene-1,7-diamine.

Molecular Properties

• Compound Name: 7-N-(4-tert-butylphenyl)-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,7-N-diphenyldibenzofuran-1,7-diamine;7-[4-(N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]-N,N-diphenyldibenzothiophen-1-amine;7-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N,7-N-triphenyldibenzothiophene-1,7-diamine;N-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-phenyl-7-[4-(N-phenylanilino)phenyl]dibenzothiophen-1-amine;4-N-(4-dibenzothiophen-3-ylphenyl)-2-N,2-N,4-N-triphenyldibenzofuran-2,4-diamine;methane;1-N,7-N,7-N-triphenyl-1-N-[4-(7-phenyldibenzofuran-2-yl)phenyl]dibenzothiophene-1,7-diamine
• PubChem CID: 167623460
• Molecular Formula: C317H220N12O5S7
• Molecular Weight: 4501.79 g/mol
• Exact Mass: 4497.54
• IUPAC Name: 7-N-(4-tert-butylphenyl)-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,7-N-diphenyldibenzofuran-1,7-diamine;7-[4-(N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]-N,N-diphenyldibenzothiophen-1-amine;7-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N,7-N-triphenyldibenzothiophene-1,7-diamine;N-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-phenyl-7-[4-(N-phenylanilino)phenyl]dibenzothiophen-1-amine;4-N-(4-dibenzothiophen-3-ylphenyl)-2-N,2-N,4-N-triphenyldibenzofuran-2,4-diamine;methane;1-N,7-N,7-N-triphenyl-1-N-[4-(7-phenyldibenzofuran-2-yl)phenyl]dibenzothiophene-1,7-diamine
• SMILES: C.CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2cccc(N(c4ccccc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)c23)cc1.c1ccc(-c2ccc3c(c2)oc2ccc(-c4ccc(N(c5ccccc5)c5cccc6sc7cc(N(c8ccccc8)c8ccccc8)ccc7c56)cc4)cc23)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2ccc3c(c2)sc2cccc(N(c4ccccc4)c4ccccc4)c23)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)sc3cccc(N(c5ccccc5)c5ccccc5)c34)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)cc1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)sc3cccc(N(c5ccccc5)c5cccc(-c6cccc(-c7cccc8sc9ccccc9c78)c6)c5)c34)cc2)cc1
• InChI: InChI=1S/C60H40N2S2.2C54H36N2OS.C52H40N2OS.2C48H32N2OS.CH4/c1-4-19-46(20-5-1)61(47-21-6-2-7-22-47)49-35-32-41(33-36-49)44-34-37-53-58(40-44)64-57-31-15-28-54(60(53)57)62(48-23-8-3-9-24-48)50-25-13-17-43(39-50)42-16-12-18-45(38-42)51-27-14-30-56-59(51)52-26-10-11-29-55(52)63-56;1-5-14-37(15-6-1)40-26-31-46-48-34-39(27-33-50(48)57-51(46)35-40)38-24-28-44(29-25-38)56(43-20-11-4-12-21-43)49-22-13-23-52-54(49)47-32-30-45(36-53(47)58-52)55(41-16-7-2-8-17-41)42-18-9-3-10-19-42;1-4-14-40(15-5-1)55(44-33-28-38(29-34-44)45-21-12-24-50-53(45)46-20-10-11-23-49(46)57-50)43-31-26-37(27-32-43)39-30-35-47-52(36-39)58-51-25-13-22-48(54(47)51)56(41-16-6-2-7-17-41)42-18-8-3-9-19-42;1-52(2,3)36-26-30-39(31-27-36)53(37-14-6-4-7-15-37)41-32-33-45-48(34-41)55-47-22-13-21-46(50(45)47)54(38-16-8-5-9-17-38)40-28-24-35(25-29-40)42-19-12-20-44-43-18-10-11-23-49(43)56-51(42)44;1-4-14-35(15-5-1)49(36-16-6-2-7-17-36)39-31-43-40-20-10-12-22-45(40)51-48(43)44(32-39)50(37-18-8-3-9-19-37)38-27-24-33(25-28-38)34-26-29-42-41-21-11-13-23-46(41)52-47(42)30-34;1-4-13-35(14-5-1)49(38-26-23-33(24-27-38)34-25-29-41-40-19-10-11-21-44(40)51-45(41)31-34)39-28-30-42-47(32-39)52-46-22-12-20-43(48(42)46)50(36-15-6-2-7-16-36)37-17-8-3-9-18-37;/h1-40H;2*1-36H;4-34H,1-3H3;2*1-32H;1H4
• InChIKey: MTLFNRGZIRQAPE-UHFFFAOYSA-N
• XLogP: 96.43
• TPSA: 104.58 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 46
• Heavy Atoms: 341
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4501.79
LogP ≤ 5	96.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 7-N-(4-tert-butylphenyl)-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,7-N-diphenyldibenzofuran-1,7-diamine;7-[4-(N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]-N,N-diphenyldibenzothiophen-1-amine;7-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N,7-N-triphenyldibenzothiophene-1,7-diamine;N-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-phenyl-7-[4-(N-phenylanilino)phenyl]dibenzothiophen-1-amine;4-N-(4-dibenzothiophen-3-ylphenyl)-2-N,2-N,4-N-triphenyldibenzofuran-2,4-diamine;methane;1-N,7-N,7-N-triphenyl-1-N-[4-(7-phenyldibenzofuran-2-yl)phenyl]dibenzothiophene-1,7-diamine?

The IUPAC name of 7-N-(4-tert-butylphenyl)-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,7-N-diphenyldibenzofuran-1,7-diamine;7-[4-(N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]-N,N-diphenyldibenzothiophen-1-amine;7-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N,7-N-triphenyldibenzothiophene-1,7-diamine;N-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-phenyl-7-[4-(N-phenylanilino)phenyl]dibenzothiophen-1-amine;4-N-(4-dibenzothiophen-3-ylphenyl)-2-N,2-N,4-N-triphenyldibenzofuran-2,4-diamine;methane;1-N,7-N,7-N-triphenyl-1-N-[4-(7-phenyldibenzofuran-2-yl)phenyl]dibenzothiophene-1,7-diamine (CID 167623460) is 7-N-(4-tert-butylphenyl)-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,7-N-diphenyldibenzofuran-1,7-diamine;7-[4-(N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]-N,N-diphenyldibenzothiophen-1-amine;7-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N,7-N-triphenyldibenzothiophene-1,7-diamine;N-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-phenyl-7-[4-(N-phenylanilino)phenyl]dibenzothiophen-1-amine;4-N-(4-dibenzothiophen-3-ylphenyl)-2-N,2-N,4-N-triphenyldibenzofuran-2,4-diamine;methane;1-N,7-N,7-N-triphenyl-1-N-[4-(7-phenyldibenzofuran-2-yl)phenyl]dibenzothiophene-1,7-diamine.

What is the SMILES notation for 7-N-(4-tert-butylphenyl)-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,7-N-diphenyldibenzofuran-1,7-diamine;7-[4-(N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]-N,N-diphenyldibenzothiophen-1-amine;7-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N,7-N-triphenyldibenzothiophene-1,7-diamine;N-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-phenyl-7-[4-(N-phenylanilino)phenyl]dibenzothiophen-1-amine;4-N-(4-dibenzothiophen-3-ylphenyl)-2-N,2-N,4-N-triphenyldibenzofuran-2,4-diamine;methane;1-N,7-N,7-N-triphenyl-1-N-[4-(7-phenyldibenzofuran-2-yl)phenyl]dibenzothiophene-1,7-diamine?

The canonical SMILES for 7-N-(4-tert-butylphenyl)-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,7-N-diphenyldibenzofuran-1,7-diamine;7-[4-(N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]-N,N-diphenyldibenzothiophen-1-amine;7-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N,7-N-triphenyldibenzothiophene-1,7-diamine;N-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-phenyl-7-[4-(N-phenylanilino)phenyl]dibenzothiophen-1-amine;4-N-(4-dibenzothiophen-3-ylphenyl)-2-N,2-N,4-N-triphenyldibenzofuran-2,4-diamine;methane;1-N,7-N,7-N-triphenyl-1-N-[4-(7-phenyldibenzofuran-2-yl)phenyl]dibenzothiophene-1,7-diamine is C.CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2cccc(N(c4ccccc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)c23)cc1.c1ccc(-c2ccc3c(c2)oc2ccc(-c4ccc(N(c5ccccc5)c5cccc6sc7cc(N(c8ccccc8)c8ccccc8)ccc7c56)cc4)cc23)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2ccc3c(c2)sc2cccc(N(c4ccccc4)c4ccccc4)c23)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)sc3cccc(N(c5ccccc5)c5ccccc5)c34)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)cc1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)sc3cccc(N(c5ccccc5)c5cccc(-c6cccc(-c7cccc8sc9ccccc9c78)c6)c5)c34)cc2)cc1.

What is the InChIKey of 7-N-(4-tert-butylphenyl)-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,7-N-diphenyldibenzofuran-1,7-diamine;7-[4-(N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]-N,N-diphenyldibenzothiophen-1-amine;7-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N,7-N-triphenyldibenzothiophene-1,7-diamine;N-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-phenyl-7-[4-(N-phenylanilino)phenyl]dibenzothiophen-1-amine;4-N-(4-dibenzothiophen-3-ylphenyl)-2-N,2-N,4-N-triphenyldibenzofuran-2,4-diamine;methane;1-N,7-N,7-N-triphenyl-1-N-[4-(7-phenyldibenzofuran-2-yl)phenyl]dibenzothiophene-1,7-diamine?

The InChIKey is MTLFNRGZIRQAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2S2.2C54H36N2OS.C52H40N2OS.2C48H32N2OS.CH4/c1-4-19-46(20-5-1)61(47-21-6-2-7-22-47)49-35-32-41(33-36-49)44-34-37-53-58(40-44)64-57-31-15-28-54(60(53)57)62(48-23-8-3-9-24-48)50-25-13-17-43(39-50)42-16-12-18-45(38-42)51-27-14-30-56-59(51)52-26-10-11-29-55(52)63-56;1-5-14-37(15-6-1)40-26-31-46-48-34-39(27-33-50(48)57-51(46)35-40)38-24-28-44(29-25-38)56(43-20-11-4-12-21-43)49-22-13-23-52-54(49)47-32-30-45(36-53(47)58-52)55(41-16-7-2-8-17-41)42-18-9-3-10-19-42;1-4-14-40(15-5-1)55(44-33-28-38(29-34-44)45-21-12-24-50-53(45)46-20-10-11-23-49(46)57-50)43-31-26-37(27-32-43)39-30-35-47-52(36-39)58-51-25-13-22-48(54(47)51)56(41-16-6-2-7-17-41)42-18-8-3-9-19-42;1-52(2,3)36-26-30-39(31-27-36)53(37-14-6-4-7-15-37)41-32-33-45-48(34-41)55-47-22-13-21-46(50(45)47)54(38-16-8-5-9-17-38)40-28-24-35(25-29-40)42-19-12-20-44-43-18-10-11-23-49(43)56-51(42)44;1-4-14-35(15-5-1)49(36-16-6-2-7-17-36)39-31-43-40-20-10-12-22-45(40)51-48(43)44(32-39)50(37-18-8-3-9-19-37)38-27-24-33(25-28-38)34-26-29-42-41-21-11-13-23-46(41)52-47(42)30-34;1-4-13-35(14-5-1)49(38-26-23-33(24-27-38)34-25-29-41-40-19-10-11-21-44(40)51-45(41)31-34)39-28-30-42-47(32-39)52-46-22-12-20-43(48(42)46)50(36-15-6-2-7-16-36)37-17-8-3-9-18-37;/h1-40H;2*1-36H;4-34H,1-3H3;2*1-32H;1H4.

What are the key properties of 7-N-(4-tert-butylphenyl)-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,7-N-diphenyldibenzofuran-1,7-diamine;7-[4-(N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]-N,N-diphenyldibenzothiophen-1-amine;7-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N,7-N-triphenyldibenzothiophene-1,7-diamine;N-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-phenyl-7-[4-(N-phenylanilino)phenyl]dibenzothiophen-1-amine;4-N-(4-dibenzothiophen-3-ylphenyl)-2-N,2-N,4-N-triphenyldibenzofuran-2,4-diamine;methane;1-N,7-N,7-N-triphenyl-1-N-[4-(7-phenyldibenzofuran-2-yl)phenyl]dibenzothiophene-1,7-diamine?

7-N-(4-tert-butylphenyl)-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,7-N-diphenyldibenzofuran-1,7-diamine;7-[4-(N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]-N,N-diphenyldibenzothiophen-1-amine;7-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N,7-N-triphenyldibenzothiophene-1,7-diamine;N-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-phenyl-7-[4-(N-phenylanilino)phenyl]dibenzothiophen-1-amine;4-N-(4-dibenzothiophen-3-ylphenyl)-2-N,2-N,4-N-triphenyldibenzofuran-2,4-diamine;methane;1-N,7-N,7-N-triphenyl-1-N-[4-(7-phenyldibenzofuran-2-yl)phenyl]dibenzothiophene-1,7-diamine has a molecular weight of 4501.79 g/mol, XLogP of 96.43, 46 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-(4-tert-butylphenyl)-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,7-N-diphenyldibenzofuran-1,7-diamine;7-[4-(N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]-N,N-diphenyldibenzothiophen-1-amine;7-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N,7-N-triphenyldibenzothiophene-1,7-diamine;N-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-phenyl-7-[4-(N-phenylanilino)phenyl]dibenzothiophen-1-amine;4-N-(4-dibenzothiophen-3-ylphenyl)-2-N,2-N,4-N-triphenyldibenzofuran-2,4-diamine;methane;1-N,7-N,7-N-triphenyl-1-N-[4-(7-phenyldibenzofuran-2-yl)phenyl]dibenzothiophene-1,7-diamine is sourced from PubChem (CID 167623460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).