11,11-dimethyl-14-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-13,15-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C46H34N2Si — CID 140785887

About 11,11-dimethyl-14-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-13,15-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene

11,11-dimethyl-14-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-13,15-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 140785887) has the molecular formula C46H34N2Si and a molecular weight of 642.88 g/mol. Its IUPAC name is 11,11-dimethyl-14-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-13,15-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

• Compound Name: 11,11-dimethyl-14-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-13,15-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• PubChem CID: 140785887
• Molecular Formula: C46H34N2Si
• Molecular Weight: 642.88 g/mol
• Exact Mass: 642.25
• IUPAC Name: 11,11-dimethyl-14-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-13,15-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• SMILES: C[Si]1(C)c2ccc3ccccc3c2-c2c(-c3cccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)nc(-c3ccccc3)nc21
• InChI: InChI=1S/C46H34N2Si/c1-49(2)41-28-27-34-15-9-10-22-40(34)42(41)43-44(47-45(48-46(43)49)35-16-7-4-8-17-35)39-21-12-20-38(30-39)37-19-11-18-36(29-37)33-25-23-32(24-26-33)31-13-5-3-6-14-31/h3-30H,1-2H3
• InChIKey: WHXBDEXFWVGQKA-UHFFFAOYSA-N
• XLogP: 10.77
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.88
LogP ≤ 5	10.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-14-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-13,15-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The IUPAC name of 11,11-dimethyl-14-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-13,15-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 140785887) is 11,11-dimethyl-14-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-13,15-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

What is the SMILES notation for 11,11-dimethyl-14-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-13,15-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The canonical SMILES for 11,11-dimethyl-14-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-13,15-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene is C[Si]1(C)c2ccc3ccccc3c2-c2c(-c3cccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)nc(-c3ccccc3)nc21.

What is the InChIKey of 11,11-dimethyl-14-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-13,15-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The InChIKey is WHXBDEXFWVGQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2Si/c1-49(2)41-28-27-34-15-9-10-22-40(34)42(41)43-44(47-45(48-46(43)49)35-16-7-4-8-17-35)39-21-12-20-38(30-39)37-19-11-18-36(29-37)33-25-23-32(24-26-33)31-13-5-3-6-14-31/h3-30H,1-2H3.

What are the key properties of 11,11-dimethyl-14-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-13,15-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

11,11-dimethyl-14-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-13,15-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 642.88 g/mol, XLogP of 10.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 11,11-dimethyl-14-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-13,15-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 140785887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).