5,10,10-trimethyl-4-[3-[10-phenyl-8-[4-(5,10,10-trimethylbenzo[b][1,4]benzazasilin-4-yl)naphthalen-2-yl]anthracen-1-yl]naphthalen-1-yl]benzo[b][1,4]benzazasiline

C70H56N2Si2 — CID 161177185

About 5,10,10-trimethyl-4-[3-[10-phenyl-8-[4-(5,10,10-trimethylbenzo[b][1,4]benzazasilin-4-yl)naphthalen-2-yl]anthracen-1-yl]naphthalen-1-yl]benzo[b][1,4]benzazasiline

5,10,10-trimethyl-4-[3-[10-phenyl-8-[4-(5,10,10-trimethylbenzo[b][1,4]benzazasilin-4-yl)naphthalen-2-yl]anthracen-1-yl]naphthalen-1-yl]benzo[b][1,4]benzazasiline (PubChem CID 161177185) has the molecular formula C70H56N2Si2 and a molecular weight of 981.40 g/mol. Its IUPAC name is 5,10,10-trimethyl-4-[3-[10-phenyl-8-[4-(5,10,10-trimethylbenzo[b][1,4]benzazasilin-4-yl)naphthalen-2-yl]anthracen-1-yl]naphthalen-1-yl]benzo[b][1,4]benzazasiline.

Molecular Properties

• Compound Name: 5,10,10-trimethyl-4-[3-[10-phenyl-8-[4-(5,10,10-trimethylbenzo[b][1,4]benzazasilin-4-yl)naphthalen-2-yl]anthracen-1-yl]naphthalen-1-yl]benzo[b][1,4]benzazasiline
• PubChem CID: 161177185
• Molecular Formula: C70H56N2Si2
• Molecular Weight: 981.40 g/mol
• Exact Mass: 980.40
• IUPAC Name: 5,10,10-trimethyl-4-[3-[10-phenyl-8-[4-(5,10,10-trimethylbenzo[b][1,4]benzazasilin-4-yl)naphthalen-2-yl]anthracen-1-yl]naphthalen-1-yl]benzo[b][1,4]benzazasiline
• SMILES: CN1c2ccccc2[Si](C)(C)c2cccc(-c3cc(-c4cccc5c(-c6ccccc6)c6cccc(-c7cc(-c8cccc9c8N(C)c8ccccc8[Si]9(C)C)c8ccccc8c7)c6cc45)cc4ccccc34)c21
• InChI: InChI=1S/C70H56N2Si2/c1-71-62-34-14-16-36-64(62)73(3,4)66-38-20-32-56(69(66)71)58-42-48(40-46-24-10-12-26-50(46)58)52-28-18-30-54-60(52)44-61-53(29-19-31-55(61)68(54)45-22-8-7-9-23-45)49-41-47-25-11-13-27-51(47)59(43-49)57-33-21-39-67-70(57)72(2)63-35-15-17-37-65(63)74(67,5)6/h7-44H,1-6H3
• InChIKey: LOXADTSDDOEROX-UHFFFAOYSA-N
• XLogP: 16.44
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	981.40
LogP ≤ 5	16.44
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 5,10,10-trimethyl-4-[3-[10-phenyl-8-[4-(5,10,10-trimethylbenzo[b][1,4]benzazasilin-4-yl)naphthalen-2-yl]anthracen-1-yl]naphthalen-1-yl]benzo[b][1,4]benzazasiline?

The IUPAC name of 5,10,10-trimethyl-4-[3-[10-phenyl-8-[4-(5,10,10-trimethylbenzo[b][1,4]benzazasilin-4-yl)naphthalen-2-yl]anthracen-1-yl]naphthalen-1-yl]benzo[b][1,4]benzazasiline (CID 161177185) is 5,10,10-trimethyl-4-[3-[10-phenyl-8-[4-(5,10,10-trimethylbenzo[b][1,4]benzazasilin-4-yl)naphthalen-2-yl]anthracen-1-yl]naphthalen-1-yl]benzo[b][1,4]benzazasiline.

What is the SMILES notation for 5,10,10-trimethyl-4-[3-[10-phenyl-8-[4-(5,10,10-trimethylbenzo[b][1,4]benzazasilin-4-yl)naphthalen-2-yl]anthracen-1-yl]naphthalen-1-yl]benzo[b][1,4]benzazasiline?

The canonical SMILES for 5,10,10-trimethyl-4-[3-[10-phenyl-8-[4-(5,10,10-trimethylbenzo[b][1,4]benzazasilin-4-yl)naphthalen-2-yl]anthracen-1-yl]naphthalen-1-yl]benzo[b][1,4]benzazasiline is CN1c2ccccc2[Si](C)(C)c2cccc(-c3cc(-c4cccc5c(-c6ccccc6)c6cccc(-c7cc(-c8cccc9c8N(C)c8ccccc8[Si]9(C)C)c8ccccc8c7)c6cc45)cc4ccccc34)c21.

What is the InChIKey of 5,10,10-trimethyl-4-[3-[10-phenyl-8-[4-(5,10,10-trimethylbenzo[b][1,4]benzazasilin-4-yl)naphthalen-2-yl]anthracen-1-yl]naphthalen-1-yl]benzo[b][1,4]benzazasiline?

The InChIKey is LOXADTSDDOEROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H56N2Si2/c1-71-62-34-14-16-36-64(62)73(3,4)66-38-20-32-56(69(66)71)58-42-48(40-46-24-10-12-26-50(46)58)52-28-18-30-54-60(52)44-61-53(29-19-31-55(61)68(54)45-22-8-7-9-23-45)49-41-47-25-11-13-27-51(47)59(43-49)57-33-21-39-67-70(57)72(2)63-35-15-17-37-65(63)74(67,5)6/h7-44H,1-6H3.

What are the key properties of 5,10,10-trimethyl-4-[3-[10-phenyl-8-[4-(5,10,10-trimethylbenzo[b][1,4]benzazasilin-4-yl)naphthalen-2-yl]anthracen-1-yl]naphthalen-1-yl]benzo[b][1,4]benzazasiline?

5,10,10-trimethyl-4-[3-[10-phenyl-8-[4-(5,10,10-trimethylbenzo[b][1,4]benzazasilin-4-yl)naphthalen-2-yl]anthracen-1-yl]naphthalen-1-yl]benzo[b][1,4]benzazasiline has a molecular weight of 981.40 g/mol, XLogP of 16.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10,10-trimethyl-4-[3-[10-phenyl-8-[4-(5,10,10-trimethylbenzo[b][1,4]benzazasilin-4-yl)naphthalen-2-yl]anthracen-1-yl]naphthalen-1-yl]benzo[b][1,4]benzazasiline is sourced from PubChem (CID 161177185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).