5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline

C66H50N10Si2 — CID 140793866

About 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline

5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline (PubChem CID 140793866) has the molecular formula C66H50N10Si2 and a molecular weight of 1039.37 g/mol. Its IUPAC name is 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline.

Molecular Properties

• Compound Name: 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
• PubChem CID: 140793866
• Molecular Formula: C66H50N10Si2
• Molecular Weight: 1039.37 g/mol
• Exact Mass: 1038.38
• IUPAC Name: 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
• SMILES: C[Si]1(C)c2ccccc2N(c2cc(-c3cc(-c4ccccn4)nc(-c4cccnc4)n3)c3cc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc(-c4cc(-c5ccccn5)nc(-c5cccnc5)n4)c3c2)c2ccccc21
• InChI: InChI=1S/C66H50N10Si2/c1-77(2)61-27-9-5-23-57(61)75(58-24-6-10-28-62(58)77)45-35-47-48(49(37-45)53-39-55(51-21-13-15-33-69-51)73-65(71-53)43-19-17-31-67-41-43)36-46(76-59-25-7-11-29-63(59)78(3,4)64-30-12-8-26-60(64)76)38-50(47)54-40-56(52-22-14-16-34-70-52)74-66(72-54)44-20-18-32-68-42-44/h5-42H,1-4H3
• InChIKey: KQPLYINDKDNRCU-UHFFFAOYSA-N
• XLogP: 13.21
• TPSA: 109.60 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1039.37
LogP ≤ 5	13.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline?

The IUPAC name of 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline (CID 140793866) is 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-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)-4,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline?

The canonical SMILES for 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline is C[Si]1(C)c2ccccc2N(c2cc(-c3cc(-c4ccccn4)nc(-c4cccnc4)n3)c3cc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc(-c4cc(-c5ccccn5)nc(-c5cccnc5)n4)c3c2)c2ccccc21.

What is the InChIKey of 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline?

The InChIKey is KQPLYINDKDNRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50N10Si2/c1-77(2)61-27-9-5-23-57(61)75(58-24-6-10-28-62(58)77)45-35-47-48(49(37-45)53-39-55(51-21-13-15-33-69-51)73-65(71-53)43-19-17-31-67-41-43)36-46(76-59-25-7-11-29-63(59)78(3,4)64-30-12-8-26-60(64)76)38-50(47)54-40-56(52-22-14-16-34-70-52)74-66(72-54)44-20-18-32-68-42-44/h5-42H,1-4H3.

What are the key properties of 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline?

5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline has a molecular weight of 1039.37 g/mol, XLogP of 13.21, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 140793866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).