5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(3,5-dimethylphenyl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline

C60H50N2Si2 — CID 59220475

About 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(3,5-dimethylphenyl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline

5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(3,5-dimethylphenyl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline (PubChem CID 59220475) has the molecular formula C60H50N2Si2 and a molecular weight of 855.25 g/mol. Its IUPAC name is 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(3,5-dimethylphenyl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline.

Molecular Properties

• Compound Name: 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(3,5-dimethylphenyl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
• PubChem CID: 59220475
• Molecular Formula: C60H50N2Si2
• Molecular Weight: 855.25 g/mol
• Exact Mass: 854.35
• IUPAC Name: 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(3,5-dimethylphenyl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
• SMILES: Cc1cc(C)cc(-c2c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc3c(-c3ccc4ccccc4c3)c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc23)c1
• InChI: InChI=1S/C60H50N2Si2/c1-39-33-40(2)35-44(34-39)60-48-32-30-45(61-51-19-9-13-23-55(51)63(3,4)56-24-14-10-20-52(56)61)37-49(48)59(43-28-27-41-17-7-8-18-42(41)36-43)47-31-29-46(38-50(47)60)62-53-21-11-15-25-57(53)64(5,6)58-26-16-12-22-54(58)62/h7-38H,1-6H3
• InChIKey: LBRRFACHWCCFIL-UHFFFAOYSA-N
• XLogP: 14.31
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.25
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(3,5-dimethylphenyl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline?

The IUPAC name of 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(3,5-dimethylphenyl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline (CID 59220475) is 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(3,5-dimethylphenyl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline.

What is the SMILES notation for 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(3,5-dimethylphenyl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline?

The canonical SMILES for 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(3,5-dimethylphenyl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline is Cc1cc(C)cc(-c2c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc3c(-c3ccc4ccccc4c3)c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc23)c1.

What is the InChIKey of 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(3,5-dimethylphenyl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline?

The InChIKey is LBRRFACHWCCFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H50N2Si2/c1-39-33-40(2)35-44(34-39)60-48-32-30-45(61-51-19-9-13-23-55(51)63(3,4)56-24-14-10-20-52(56)61)37-49(48)59(43-28-27-41-17-7-8-18-42(41)36-43)47-31-29-46(38-50(47)60)62-53-21-11-15-25-57(53)64(5,6)58-26-16-12-22-54(58)62/h7-38H,1-6H3.

What are the key properties of 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(3,5-dimethylphenyl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline?

5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(3,5-dimethylphenyl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline has a molecular weight of 855.25 g/mol, XLogP of 14.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(3,5-dimethylphenyl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 59220475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).