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

C150H95N3O3S3 — CID 158969045

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

N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 158969045) has the molecular formula C150H95N3O3S3 and a molecular weight of 2083.63 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

• Compound Name: N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
• PubChem CID: 158969045
• Molecular Formula: C150H95N3O3S3
• Molecular Weight: 2083.63 g/mol
• Exact Mass: 2081.65
• IUPAC Name: N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
• SMILES: c1ccc(-c2cc(N(c3ccc4c(c3)oc3ccccc34)c3cc4ccccc4c4ccccc34)ccc2-c2cccc3c2sc2ccccc23)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)c(-c4cccc5ccccc45)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)c(-c4ccccc4)c3)c3ccc4oc5ccccc5c4c3)cc2)cc1
• InChI: InChI=1S/C52H33NOS.C50H31NOS.C48H31NOS/c1-2-12-34(13-3-1)35-24-26-37(27-25-35)53(39-29-31-44-43-17-6-8-22-49(43)54-50(44)33-39)38-28-30-42(48(32-38)41-19-10-15-36-14-4-5-16-40(36)41)46-20-11-21-47-45-18-7-9-23-51(45)55-52(46)47;1-2-13-32(14-3-1)45-30-34(25-27-38(45)43-21-12-22-44-42-20-9-11-24-49(42)53-50(43)44)51(35-26-28-41-40-19-8-10-23-47(40)52-48(41)31-35)46-29-33-15-4-5-16-36(33)37-17-6-7-18-39(37)46;1-3-12-32(13-4-1)33-22-24-35(25-23-33)49(37-27-29-46-44(31-37)39-16-7-9-20-45(39)50-46)36-26-28-38(43(30-36)34-14-5-2-6-15-34)41-18-11-19-42-40-17-8-10-21-47(40)51-48(41)42/h1-33H;1-31H;1-31H
• InChIKey: JNOLEJMAYUVWSC-UHFFFAOYSA-N
• XLogP: 45.07
• TPSA: 49.14 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2083.63
LogP ≤ 5	45.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 158969045) is N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine.

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

The canonical SMILES for N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2cc(N(c3ccc4c(c3)oc3ccccc34)c3cc4ccccc4c4ccccc34)ccc2-c2cccc3c2sc2ccccc23)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)c(-c4cccc5ccccc45)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)c(-c4ccccc4)c3)c3ccc4oc5ccccc5c4c3)cc2)cc1.

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

The InChIKey is JNOLEJMAYUVWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS.C50H31NOS.C48H31NOS/c1-2-12-34(13-3-1)35-24-26-37(27-25-35)53(39-29-31-44-43-17-6-8-22-49(43)54-50(44)33-39)38-28-30-42(48(32-38)41-19-10-15-36-14-4-5-16-40(36)41)46-20-11-21-47-45-18-7-9-23-51(45)55-52(46)47;1-2-13-32(14-3-1)45-30-34(25-27-38(45)43-21-12-22-44-42-20-9-11-24-49(42)53-50(43)44)51(35-26-28-41-40-19-8-10-23-47(40)52-48(41)31-35)46-29-33-15-4-5-16-36(33)37-17-6-7-18-39(37)46;1-3-12-32(13-4-1)33-22-24-35(25-23-33)49(37-27-29-46-44(31-37)39-16-7-9-20-45(39)50-46)36-26-28-38(43(30-36)34-14-5-2-6-15-34)41-18-11-19-42-40-17-8-10-21-47(40)51-48(41)42/h1-33H;1-31H;1-31H.

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

N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 2083.63 g/mol, XLogP of 45.07, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 158969045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).