N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine

C184H128N6OS2Si3 — CID 159793826

About N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine

N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 159793826) has the molecular formula C184H128N6OS2Si3 and a molecular weight of 2587.48 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

• Compound Name: N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine
• PubChem CID: 159793826
• Molecular Formula: C184H128N6OS2Si3
• Molecular Weight: 2587.48 g/mol
• Exact Mass: 2584.89
• IUPAC Name: N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)[Si](c4ccccc4)(c4ccccc4)c4ccccc4N5c4ccccc4)cc3)c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)[Si](c4ccccc4)(c4ccccc4)c4ccccc4N5c4ccccc4)cc3)c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3cc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6c5sc5ccccc56)cc4)ccc32)cc1
• InChI: InChI=1S/C64H44N2SSi.C60H42N2OSi.C60H42N2SSi/c1-4-20-49(21-5-1)66-58-30-13-15-33-62(58)68(52-22-6-2-7-23-52,53-24-8-3-9-25-53)63-44-48(38-43-59(63)66)45-34-39-50(40-35-45)65(60-31-17-29-57-56-27-12-14-32-61(56)67-64(57)60)51-41-36-47(37-42-51)55-28-16-19-46-18-10-11-26-54(46)55;2*1-5-18-43(19-6-1)44-32-37-48(38-33-44)61(56-29-17-27-53-52-26-13-15-30-57(52)63-60(53)56)49-39-34-45(35-40-49)46-36-41-55-59(42-46)64(50-22-9-3-10-23-50,51-24-11-4-12-25-51)58-31-16-14-28-54(58)62(55)47-20-7-2-8-21-47/h1-44H;2*1-42H
• InChIKey: NIXJLVHHGDLWTB-UHFFFAOYSA-N
• XLogP: 42.74
• TPSA: 32.58 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 24
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2587.48
LogP ≤ 5	42.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine?

The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine (CID 159793826) is N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine.

What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine?

The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)[Si](c4ccccc4)(c4ccccc4)c4ccccc4N5c4ccccc4)cc3)c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)[Si](c4ccccc4)(c4ccccc4)c4ccccc4N5c4ccccc4)cc3)c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3cc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6c5sc5ccccc56)cc4)ccc32)cc1.

What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine?

The InChIKey is NIXJLVHHGDLWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2SSi.C60H42N2OSi.C60H42N2SSi/c1-4-20-49(21-5-1)66-58-30-13-15-33-62(58)68(52-22-6-2-7-23-52,53-24-8-3-9-25-53)63-44-48(38-43-59(63)66)45-34-39-50(40-35-45)65(60-31-17-29-57-56-27-12-14-32-61(56)67-64(57)60)51-41-36-47(37-42-51)55-28-16-19-46-18-10-11-26-54(46)55;2*1-5-18-43(19-6-1)44-32-37-48(38-33-44)61(56-29-17-27-53-52-26-13-15-30-57(52)63-60(53)56)49-39-34-45(35-40-49)46-36-41-55-59(42-46)64(50-22-9-3-10-23-50,51-24-11-4-12-25-51)58-31-16-14-28-54(58)62(55)47-20-7-2-8-21-47/h1-44H;2*1-42H.

What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine?

N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine has a molecular weight of 2587.48 g/mol, XLogP of 42.74, 24 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-4-amine;N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 159793826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).