N-(3-dibenzothiophen-3-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-3-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine

C202H128N4O4S4 — CID 159977870

About N-(3-dibenzothiophen-3-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-3-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine

N-(3-dibenzothiophen-3-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-3-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 159977870) has the molecular formula C202H128N4O4S4 and a molecular weight of 2803.54 g/mol. Its IUPAC name is N-(3-dibenzothiophen-3-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-3-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-(3-dibenzothiophen-3-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-3-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
• PubChem CID: 159977870
• Molecular Formula: C202H128N4O4S4
• Molecular Weight: 2803.54 g/mol
• Exact Mass: 2800.88
• IUPAC Name: N-(3-dibenzothiophen-3-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-3-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
• SMILES: c1ccc(-c2cc(-c3ccc4c(c3)sc3ccccc34)cc(N(c3cc4ccccc4c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2cc(-c3ccc4sc5ccccc5c4c3)cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2ccc(N(c3cc(-c4ccc5c(c4)sc4ccccc45)cc(-c4cccc5ccccc45)c3)c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccc5sc6ccccc6c5c4)c3)c3cccc4c3oc3ccccc34)cc2)cc1
• InChI: InChI=1S/2C52H33NOS.C50H31NOS.C48H31NOS/c1-2-12-34(13-3-1)35-24-27-40(28-25-35)53(48-21-11-20-47-44-17-6-8-22-49(44)54-52(47)48)41-31-38(30-39(32-41)43-19-10-15-36-14-4-5-16-42(36)43)37-26-29-46-45-18-7-9-23-50(45)55-51(46)33-37;1-2-12-34(13-3-1)38-30-39(37-26-29-51-47(33-37)45-18-7-9-23-50(45)55-51)32-41(31-38)53(48-21-11-20-46-44-17-6-8-22-49(44)54-52(46)48)40-27-24-36(25-28-40)43-19-10-15-35-14-4-5-16-42(35)43;1-2-13-32(14-3-1)35-27-36(33-25-26-43-42-20-9-11-24-48(42)53-49(43)31-33)29-37(28-35)51(45-22-12-21-44-41-19-8-10-23-47(41)52-50(44)45)46-30-34-15-4-5-16-38(34)39-17-6-7-18-40(39)46;1-3-12-32(13-4-1)34-22-25-38(26-23-34)49(44-19-11-18-42-40-16-7-9-20-45(40)50-48(42)44)39-29-36(33-14-5-2-6-15-33)28-37(30-39)35-24-27-47-43(31-35)41-17-8-10-21-46(41)51-47/h2*1-33H;1-31H;1-31H
• InChIKey: OFJQCXNOXVAJFO-UHFFFAOYSA-N
• XLogP: 60.64
• TPSA: 65.52 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 23
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2803.54
LogP ≤ 5	60.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-3-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-3-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine?

The IUPAC name of N-(3-dibenzothiophen-3-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-3-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 159977870) is N-(3-dibenzothiophen-3-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-3-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine.

What is the SMILES notation for N-(3-dibenzothiophen-3-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-3-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine?

The canonical SMILES for N-(3-dibenzothiophen-3-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-3-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2cc(-c3ccc4c(c3)sc3ccccc34)cc(N(c3cc4ccccc4c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2cc(-c3ccc4sc5ccccc5c4c3)cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2ccc(N(c3cc(-c4ccc5c(c4)sc4ccccc45)cc(-c4cccc5ccccc45)c3)c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccc5sc6ccccc6c5c4)c3)c3cccc4c3oc3ccccc34)cc2)cc1.

What is the InChIKey of N-(3-dibenzothiophen-3-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-3-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine?

The InChIKey is OFJQCXNOXVAJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H33NOS.C50H31NOS.C48H31NOS/c1-2-12-34(13-3-1)35-24-27-40(28-25-35)53(48-21-11-20-47-44-17-6-8-22-49(44)54-52(47)48)41-31-38(30-39(32-41)43-19-10-15-36-14-4-5-16-42(36)43)37-26-29-46-45-18-7-9-23-50(45)55-51(46)33-37;1-2-12-34(13-3-1)38-30-39(37-26-29-51-47(33-37)45-18-7-9-23-50(45)55-51)32-41(31-38)53(48-21-11-20-46-44-17-6-8-22-49(44)54-52(46)48)40-27-24-36(25-28-40)43-19-10-15-35-14-4-5-16-42(35)43;1-2-13-32(14-3-1)35-27-36(33-25-26-43-42-20-9-11-24-48(42)53-49(43)31-33)29-37(28-35)51(45-22-12-21-44-41-19-8-10-23-47(41)52-50(44)45)46-30-34-15-4-5-16-38(34)39-17-6-7-18-40(39)46;1-3-12-32(13-4-1)34-22-25-38(26-23-34)49(44-19-11-18-42-40-16-7-9-20-45(40)50-48(42)44)39-29-36(33-14-5-2-6-15-33)28-37(30-39)35-24-27-47-43(31-35)41-17-8-10-21-46(41)51-47/h2*1-33H;1-31H;1-31H.

What are the key properties of N-(3-dibenzothiophen-3-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-3-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine?

N-(3-dibenzothiophen-3-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-3-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 2803.54 g/mol, XLogP of 60.64, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-dibenzothiophen-3-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-3-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 159977870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).