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

C160H101N3S6 — CID 162060170

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

N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-2-amine (PubChem CID 162060170) has the molecular formula C160H101N3S6 and a molecular weight of 2257.99 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-2-amine.

Molecular Properties

• Compound Name: N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-2-amine
• PubChem CID: 162060170
• Molecular Formula: C160H101N3S6
• Molecular Weight: 2257.99 g/mol
• Exact Mass: 2255.63
• IUPAC Name: N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-2-amine
• SMILES: c1ccc(-c2cc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc4sc5ccccc5c4c3)ccc2-c2cccc3c2sc2ccccc23)cc1.c1ccc(-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4sc5ccccc5c4c3)ccc2-c2cccc3c2sc2ccccc23)cc1.c1ccc(-c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4sc5ccccc5c4c3)ccc2-c2cccc3c2sc2ccccc23)cc1
• InChI: InChI=1S/C56H35NS2.2C52H33NS2/c1-2-13-36(14-3-1)51-34-40(29-31-45(51)48-21-12-22-49-46-19-8-11-24-54(46)59-56(48)49)57(41-30-32-55-52(35-41)47-20-9-10-23-53(47)58-55)39-27-25-37(26-28-39)50-33-38-15-4-5-16-42(38)43-17-6-7-18-44(43)50;1-2-12-35(13-3-1)47-32-38(28-30-42(47)45-20-11-21-46-43-17-6-9-23-50(43)55-52(45)46)53(39-29-31-51-48(33-39)44-18-7-8-22-49(44)54-51)37-26-24-36(25-27-37)41-19-10-15-34-14-4-5-16-40(34)41;1-2-12-36(13-3-1)47-32-40(27-29-42(47)45-17-10-18-46-43-15-6-9-20-50(43)55-52(45)46)53(41-28-30-51-48(33-41)44-16-7-8-19-49(44)54-51)39-25-23-35(24-26-39)38-22-21-34-11-4-5-14-37(34)31-38/h1-35H;2*1-33H
• InChIKey: YZSMMZDNVMIXHO-UHFFFAOYSA-N
• XLogP: 49.29
• TPSA: 9.72 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2257.99
LogP ≤ 5	49.29
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-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-2-amine?

The IUPAC name of N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-2-amine (CID 162060170) is N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-2-amine.

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

The canonical SMILES for N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-2-amine is c1ccc(-c2cc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc4sc5ccccc5c4c3)ccc2-c2cccc3c2sc2ccccc23)cc1.c1ccc(-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4sc5ccccc5c4c3)ccc2-c2cccc3c2sc2ccccc23)cc1.c1ccc(-c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4sc5ccccc5c4c3)ccc2-c2cccc3c2sc2ccccc23)cc1.

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

The InChIKey is YZSMMZDNVMIXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NS2.2C52H33NS2/c1-2-13-36(14-3-1)51-34-40(29-31-45(51)48-21-12-22-49-46-19-8-11-24-54(46)59-56(48)49)57(41-30-32-55-52(35-41)47-20-9-10-23-53(47)58-55)39-27-25-37(26-28-39)50-33-38-15-4-5-16-42(38)43-17-6-7-18-44(43)50;1-2-12-35(13-3-1)47-32-38(28-30-42(47)45-20-11-21-46-43-17-6-9-23-50(43)55-52(45)46)53(39-29-31-51-48(33-39)44-18-7-8-22-49(44)54-51)37-26-24-36(25-27-37)41-19-10-15-34-14-4-5-16-40(34)41;1-2-12-36(13-3-1)47-32-40(27-29-42(47)45-17-10-18-46-43-15-6-9-20-50(43)55-52(45)46)53(41-28-30-51-48(33-41)44-16-7-8-19-49(44)54-51)39-25-23-35(24-26-39)38-22-21-34-11-4-5-14-37(34)31-38/h1-35H;2*1-33H.

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

N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-2-amine has a molecular weight of 2257.99 g/mol, XLogP of 49.29, 18 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-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 162060170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).